pku-yuangroup
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- ▌ Bio Clinical Databases Gnomad Frequencies · pku-yuangroup bundleQueries gnomAD v4 (807k samples), v3, v2.1.1, and constraint metrics with grpmax FAF95, bottleneck-group exclusion, LOEUF interpretation, SV/CNV/mtDNA catalogs, and Whiffin max-credible-AF framework. Use when filtering rare variants, applying ACMG BS1/BA1, ranking genes by LoF intolerance, or selecting between v2 (GRCh37 + chrX/Y constraint) and v4 (GRCh38 + 807k samples).
- ▌ Bio Clinical Databases Somatic Signatures · pku-yuangroup bundleExtracts and assigns COSMIC v3.4 mutational signatures (86 SBS / 11 DBS / 18 ID / 21 CN / 16 SV) from somatic VCFs using SigProfilerSuite, MutationalPatterns, MuSiCal mvNMF, SigNet, or HRDetect. Use when characterizing DNA-damage etiology (BRCA1/2 HRD, MMR-D, POLE, APOBEC3A, UV, tobacco, aflatoxin, 5-FU/SBS17b, platinum, colibactin SBS88), routing PARP inhibitor decisions, or auditing de novo extraction vs refit choice for cohort size.
- ▌ Bio Comparative Genomics Synteny Analysis · pku-yuangroup bundleDetect syntenic blocks and structural rearrangements between genomes using MCScanX (Wang 2012), JCVI/MCScan (Tang 2008 Python), GENESPACE (Lovell 2022) for orthology-anchored riparian visualization, SyRI for structural variation, AnchorWave for sequence-level synteny, i-ADHoRe 3.0 for highly diverged species, SynNet for synteny networks, and ntSynt for multi-genome macrosynteny. Use when identifying collinear gene blocks across species, distinguishing macrosynteny from microsynteny, detecting inversions/translocations/duplications, anchoring orthology in WGD lineages, producing publication riparian plots, computing synteny block age via Ks (cross-references whole-genome-duplication), or running synteny-aware ortholog inference in polyploids.
- ▌ Bio Copy Number Focal Amplification Ecdna · pku-yuangroup bundleResolve the architecture of focal oncogene amplifications — extrachromosomal DNA (ecDNA), breakage-fusion-bridge (BFB) cycles, homogeneously staining regions (HSR), and linear amplification — from whole-genome sequencing with AmpliconArchitect, the AmpliconSuite pipeline, and AmpliconClassifier. Covers copy-number seed selection, breakpoint-graph reconstruction, balanced-flow optimization, ecDNA classification, and the limits of depth-only amplification calls. Use when a focal amplification needs structural characterization, when distinguishing ecDNA from chromosomal amplification, suspecting ecDNA-driven oncogene amplification or therapy resistance, or selecting copy-number seeds for amplicon reconstruction.
- ▌ Openfold3 · pku-yuangroup bundleStructure prediction using OpenFold3, an open-weights PyTorch reproduction of AlphaFold3 from the AlQuraishi Lab. Use this skill when predicting protein/nucleic-acid/ligand complex structures with an Apache-2.0-licensed AF3 reimplementation.
- ▌ Alphafold2 · pku-yuangroup bundlePredict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al. 2022, github.com/sokrypton/ColabFold; AlphaFold2 Jumper et al. 2021). Reach for this skill to fold a sequence or complex with the AF2/AF2-Multimer evoformer, to validate designed sequences by self-consistency pLDDT, ipTM, and RMSD, or to run a quick MSA-backed prediction using the public MMseqs2 server.
- ▌ Ligandmpnn · pku-yuangroup bundleInverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run.
- ▌ Scvi Tools · pku-yuangroup bundleProbabilistic single-cell RNA-seq with scvi-tools — scVI for a batch-corrected latent space, scANVI for semi-supervised label transfer, and Bayesian differential expression. Reach for this skill to integrate scRNA-seq batches, embed cells for clustering, transfer annotations from a reference onto a query, or score differentially expressed genes per cluster. For spatial deconvolution / mapping use the cell2location, DestVI, or Tangram methods instead.
- ▌ Bioprobench · pku-yuangroup bundleScore an LLM's biological-protocol reasoning on the BioProBench benchmark: protocol QA, step ordering, error detection, protocol generation, and LLM-judged error reasoning; or generate the responses.
- ▌ PDF Explore · pku-yuangroup bundleUse this skill when the user has attached a PDF, paper, report, or other document and the answer needs content from more than one place in it: summarize the methods or any other section, compare sections, find where a topic is discussed, read a value or label off a figure or chart, or find/list/extract every instance of something across the whole document (datasets, benchmarks, citations, figures, table rows, accession numbers — including appendices). Skip it only for a single lookup of 1–4 pages quoted in your very next response — `read_file(pages=[...])` attaches pages as images that are dropped from context after one turn, so multi-section answers end up re-reading the same ranges repeatedly. Parses the PDF once in the Python kernel: `pdf_pages` (pages as persistent text), `pdf_outline` (TOC), `pdf_scan` (rank pages by relevance), `pdf_map`/`pdf_extract` (per-page summary / structured fields via parallel low-cost calls). For PDF creation/manipulation, use reportlab/pypdf directly.
- ▌ Proteinmpnn · pku-yuangroup bundleInverse-fold a protein backbone (PDB structure) into amino-acid sequence with ProteinMPNN (Dauparas et al. 2022, github.com/dauparas/ProteinMPNN). Reach for this skill to run sequence design on RFdiffusion backbones, to redesign one chain of a PDB while holding interface residues fixed, or to generate a temperature-swept set of sequences for downstream folding.
- ▌ Rfdiffusion · pku-yuangroup bundleGenerate de novo protein backbones with RFdiffusion for protein-target binders, hotspot-conditioned interfaces, motif scaffolding, partial diffusion, or symmetric assemblies. Use this skill when a design workflow needs reproducible RFdiffusion contigs, residue mappings, checkpoints, seeds, batch execution, and handoff to ProteinMPNN plus independent structure validation. RFdiffusion generates backbones; it does not validate folding or binding.
- ▌ Solublempnn · pku-yuangroup bundleInverse-fold a backbone with SolubleMPNN — ProteinMPNN retrained on a soluble-PDB subset (Dauparas et al. 2022) — for sequences biased toward cytosolic expression and reduced aggregation. Reach for this skill when designs from vanilla ProteinMPNN are aggregating or going to inclusion bodies, when redesigning a membrane-adjacent fold for soluble expression, or when an E. coli expression screen is the next step.
- ▌ Figure Style · pku-yuangroup bundlePublication-grade figure correctness and legibility rules. Load before drawing any plot and call `apply_figure_style()` — sets a role-mapped font-size ladder, outward ticks, frameless legends, and 300-dpi output. The skill is a checklist, not a house look: data fidelity (claim-titles tested against every row, excluded data never enters summaries), label economy (floor and ceiling), colour threading, chart-choice-by-data-shape, layout, and a render-then-verify QA loop (bbox collision + per-panel perceptual check). Ships helpers: focal_palette, bar_with_points, strip_with_median, end_of_line_labels, panel_letter, set_frame, panel_crops. For multi-panel figures load `figure-composer`; for whole-paper figure arc load `paper-narrative`.
- ▌ Admet Genetic · pku-yuangroup bundleADMET-guided genetic molecule optimization workflow from seed SMILES; use when the agent needs to build or run an RDKit/SA-Score/ADMET-AI GA pipeline for molecule optimization, enforce molecule lineage logs, render optimization-history HTML dashboards, and write candidate triage reports.
- ▌ Audit Dataset · pku-yuangroup bundleAudit tabular datasets before analysis or training for schema drift, missing values, duplicate rows or IDs, target imbalance, and entity or group leakage across splits using pure-stdlib helpers.
- ▌ Example Stats · pku-yuangroup bundledescriptive-statistics helpers — summary (mean/std/median), quantile, zscore normalization, and Pearson correlation on plain Python number lists (no pandas/numpy).
- ▌ Evaluate Model · pku-yuangroup bundleEvaluate binary classification or regression models with confusion-matrix metrics, tie-aware ROC AUC, regression errors, and deterministic bootstrap confidence intervals; emphasizes held-out data, uncertainty, baselines, and subgroup checks.
- ▌ Figure Composer · pku-yuangroup bundleCompose one publication-grade multi-panel figure. Entry from a one-line claim + data refs, OR from an existing figure via `derive_outline(png)`. Runs a per-figure loop: outline (12-col grid, per-panel ask + label_budget) → fan-out one sub-agent per panel (each loads `figure-style`) → tile + stamp letters → adversarial composite review with two-tier feedback (Tier-1 outline_revisions / Tier-2 per-panel violations) → regen affected panels, ≤3 rounds. Loads panel_task / compose_figure / compose_crops / composite_review_task / derive_outline into the kernel. For one standalone plot use `figure-style`; for whole-paper figure ordering use `paper-narrative`.
- ▌ Paper Narrative · pku-yuangroup bundleJudge and reshape the STORY a paper's figures tell. Input is the work itself — manuscript (or abstract) + figure deck — no hand-written brief. `derive_paper_brief(abstract, captions)` extracts pitch/vision/per-figure-claims; a handling-editor reviewer on the full deck returns hook_verdict (would Fig 1 make me send this for review?), arc (hook→mechanism→evidence→application), figure_moves (panels in the wrong figure), missing_panels (concrete analyses to RUN), kill_list, and boldest_defensible_fig1. Hands per-figure claims to `figure-composer`. Load when writing or revising a paper.
- ▌ Literature Review · pku-yuangroup bundleFind, verify, and synthesize scientific literature — from "what's the seminal paper for X" through full multi-source reviews. Covers grounding claims in real retrieved sources, avoiding fabricated citations, handling retractions, and calibrating confidence to evidence strength.
- ▌ Indication Dossier · pku-yuangroup bundleGenerate a therapeutic indication dossier. Covers the patient population, epidemiology, disease biology, standard of care, regulatory precedent, and landmark clinical trials.
- ▌ Plan Ml Experiment · pku-yuangroup bundlePlan reproducible machine-learning experiments with leakage-safe random, grouped, or chronological splits; deterministic configuration fingerprints; dataset checksums; seeds, baselines, ablations, and artifact manifests.
- ▌ Protein Design MCP · pku-yuangroup bundleCompose auditable protein-design operations through the configured OpenAI4S protein-design MCP connector: target-conditioned RFdiffusion backbone generation, constrained ProteinMPNN sequence design, monomer or complex structure prediction, Rosetta scoring and relaxation, ESM-2 sequence naturalness scoring, and OpenMM minimization. Use when designing or redesigning proteins, creating target-binding proteins, preserving sequence motifs, validating candidate structures or complexes, refining structures, or ranking protein-design candidates with reproducible model evidence.
- ▌ Remote Compute Ssh · pku-yuangroup bundleSubmit→poll .result()→harvest workflow for the user's SSH/SLURM hosts. Load once you've decided to dispatch remote.
- ▌ Volcengine Datapro · pku-yuangroup bundleDiscover and call the configured Volcengine DataPro dataPro_search(query:string) MCP tool for professional-dataset queries.
- ▌ Evidence Walkthrough · pku-yuangroup bundleRun the reference end-to-end research pass — fixed database query, local analysis, versioned artifacts with lineage, then an exported evidence package that verifies in a clean environment. Use as the first-run demonstration, as a benchmark case, or when a result must be handed to someone who was not there when it ran.
- ▌ Using Model Endpoint · pku-yuangroup bundleCall a registered model endpoint over its native HTTP API from the endpoint's scoped inference kernel (BASE_URL preloaded). Load once a task needs predictions from a registered model endpoint.
- ▌ Reaction Atom Mapping · pku-yuangroup bundleMap atoms and changed bonds for a complete reaction with RXNMapper. Use for reactant/product correspondence and reaction-centre audits, not target-only retrosynthesis or feasibility.
- ▌ Remote Compute Nvidia · pku-yuangroup bundleRun GPU jobs on NVIDIA NIM microservices via host.compute.create('byoc:nvidia', ...). Covers both forms — self_hosted (an nvcr.io NIM container on a local GPU with --gpus all) and hosted (the fully-managed integrate.api.nvidia.com gateway, no local GPU) — sharing one submit→poll .result()→harvest flow. Load once you've decided to dispatch to NVIDIA NIM.
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- ▌ Retrosynthesis Planning · pku-yuangroup bundleSearch multi-step retrosynthesis routes from a target to stock with AiZynthFinder, then audit and rank route trees. Use for recursive planning, not mapping, forward prediction, conditions, or yield.
- ▌ Mineral Spectra Analysis · pku-yuangroup bundleRaman mineral mixture spectra analysis pipeline for unknown mixed-mineral spectra; preprocess noisy spectra once, iteratively match residual peaks against a reference spectral library, unmix components with NNLS, diagnose reliability, write reports, and optionally generate/evaluate synthetic benchmark cases with hidden ground truth.
- ▌ Single Cell Rna Analysis · pku-yuangroup bundleReproducible Scanpy workflow for human or mouse 10x scRNA-seq and snRNA-seq count matrices: single-sample descriptive QC, clustering and annotation, or comparative donor-aware pseudobulk DE and Milo DA; plus preflight validation, optional explicitly requested Harmony, checkpoints, resume, and a checksummed analysis bundle. Use for cell-called GEX matrices, not FASTQ, CITE-seq, ATAC, Multiome, spatial, trajectory, communication, or CNV analysis.
- ▌ Reaction Yield Estimation · pku-yuangroup bundleEstimate yield for a fully specified reactant/reagent/product record with ReactionT5v2-yield. Use for in-domain screening, not route success; flag domain shift and uncalibrated uncertainty.
- ▌ Single Step Retrosynthesis · pku-yuangroup bundleGenerate ranked one-step precursor sets for a product with RetroChimera; use for disconnection ideas or expansion-policy calls. Do not recurse, search stock, or call the result a complete route.
- ▌ Reaction Forward Prediction · pku-yuangroup bundlePredict ranked products from reactants and reagents with ReactionT5v2-forward; use for outcome prediction or round-trip recovery. Product rank is not reaction feasibility.
- ▌ Protein Mutation Enhancement · pku-yuangroup bundleDeterministic protein gain-of-function mutation workflow: build single, double, and higher-order mutant libraries; merge ESM sequence-effect scores, structure metrics from ESMFold-class models, property/function scores; rank candidates; and decide whether to stop or start the next design round.
- ▌ Bio Atac Seq Atac Qc · pku-yuangroup bundleATAC-seq library quality control -- TSS enrichment, FRiP, fragment-size periodicity, library complexity (NRF/PBC1/PBC2), mitochondrial fraction, and ENCODE 4 thresholds. Use when assessing whether an ATAC-seq library passes ENCODE acceptance criteria, diagnosing transposition artefacts, comparing Omni-ATAC vs standard prep quality, or selecting which replicates to drop before peak calling.
- ▌ Bio Clip Seq Clip Qc · pku-yuangroup bundleComprehensive quality control for CLIP-seq libraries (eCLIP, iCLIP, iCLIP2, PAR-CLIP) covering library complexity (preseq), FRiP, IDR replicate reproducibility, read-distribution metagene, SMInput vs IgG control rationale, rRNA / snoRNA contamination, fragment-length distribution, and ENCODE-compliance thresholds. Use when assessing whether a CLIP library passed, deciding lenient vs stringent peak thresholds, comparing replicates with IDR rescue and self-consistency ratios, or distinguishing failed IP from over-amplified library.
- ▌ Bio Clip Seq M6a Clip · pku-yuangroup bundleMap N6-methyladenosine (m6A) RNA modifications at single-nucleotide resolution using miCLIP (Linder 2015), miCLIP2 + m6Aboost machine learning (Kortel 2021), GLORI (Liu 2023, antibody-free chemical conversion), DART-seq (Meyer 2019, APOBEC1-YTH fusion), m6Anet (nanopore direct RNA), or MeRIP-seq with calibration. Use when distinguishing antibody-based from antibody-free m6A detection methods, applying the DRACH motif constraint, reconciling cross-method disagreements (DART 44% in DRACH vs GLORI), or detecting m6Am at the cap.
- ▌ Bio Read Qc Rnaseq Qc · pku-yuangroup bundleRuns RNA-seq-specific post-alignment QC - strandedness inference, gene-body 5'-3' coverage, read distribution (exonic/intronic/intergenic), rRNA/globin/mitochondrial rate, transcript integrity (TIN), and saturation - with RSeQC, Qualimap, RNA-SeQC, and Picard. Use when validating RNA-seq libraries before quantification or differential expression, diagnosing degradation or gDNA contamination, or determining library strandedness. For raw-FASTQ QC use quality-reports; for UMI dedup use umi-processing.
- ▌ Bio Chipseq Qc · pku-yuangroup bundleAssesses ChIP-seq quality across antibody specificity, fragmentation, enrichment, replicate concordance, and library complexity. Computes FRiP, NSC/RSC (phantompeakqualtools), library complexity (NRF/PBC1/PBC2), deepTools plotFingerprint (JS distance, AUC, synthetic JS), ChIPQC, IDR with ENCODE Nself/Nt rules, and detects hyper-ChIPable artifacts. Use when validating an antibody, diagnosing failed peak calls, deciding whether to proceed with downstream analysis, grading against ENCODE thresholds, or auditing replicate concordance.
- ▌ Bio Single Cell Data Io · pku-yuangroup bundleRead, write, create, and convert single-cell objects across AnnData (Python), Seurat (R), and SingleCellExperiment (R). Use when loading 10X Cell Ranger output (raw vs filtered), importing or exporting h5ad/RDS/h5mu/zarr, building AnnData or Seurat objects from matrices, moving objects between Python and R, or debugging lost layers, transposed matrices, or mangled gene names during conversion.
- ▌ Reaction Condition Recommendation · pku-yuangroup bundleRecommend ranked catalyst, reagent, and solvent labels for a fully specified reaction using the reviewed Parrot USPTO checkpoint. Not for unknown reactions or lab procedures.
- ▌ Bio Copy Number Gatk Cnv · pku-yuangroup bundleCall copy number variants with the GATK best-practices workflows — the somatic CNV pipeline (CollectReadCounts, DenoiseReadCounts with tangent normalization, ModelSegments, CallCopyRatioSegments) and the germline GATK-gCNV pipeline (DetermineGermlineContigPloidy, GermlineCNVCaller cohort/case mode, PostprocessGermlineCNVCalls). Covers panel-of-normals construction, AnnotateIntervals/FilterIntervals, allelic-count integration, and QS-based filtering. Use when integrating CNV calling into a GATK variant pipeline, calling rare germline CNVs from an exome cohort, deciding between the somatic and germline GATK workflows, or diagnosing why tangent normalization removed a real event or why gCNV output has low precision.
- ▌ Bio Alignment Msa Parsing · pku-yuangroup bundleParse and analyze multiple sequence alignments using Biopython. Extract sequences, identify conserved regions, analyze gaps, work with annotations, and manipulate alignment data for downstream analysis. Use when parsing or manipulating multiple sequence alignments.
- ▌ Bio Atac Seq Footprinting · pku-yuangroup bundleDetect transcription factor binding footprints in ATAC-seq using TOBIAS, HINT-ATAC, Wellington, or scprinter. Use when identifying bound TF sites within accessible regions, correcting Tn5 insertion bias before footprinting, choosing between cleavage-based and aggregate-based footprinters, or comparing differential TF activity between conditions.
- ▌ Bio Chipseq Peak Calling · pku-yuangroup bundleCalls ChIP-seq peaks with MACS3, MACS2, HOMER, or SPP across narrow (TF) and broad (histone) modes. Handles input control matching, fragment-size modeling vs --nomodel, effective genome size, ENCODE-style IDR vs naive overlap, hyper-ChIPable artifacts, and aligner-specific shifts. Use when calling peaks from ChIP-seq alignments, choosing between narrow vs broad mode for a histone mark, deciding model vs nomodel for low-depth data, applying ENCODE pseudoreplicate IDR, or reconciling MACS vs HOMER vs SPP results.
- ▌ Bio Pathway Gsea · pku-yuangroup bundleTests a ranked gene vector for coordinated expression shifts in GO, KEGG, Reactome, or MSigDB gene sets with clusterProfiler's gseGO, gseKEGG, gsePathway, and GSEA (fgseaMultilevel engine), and scores per-sample pathway activity with ssGSEA and GSVA. Covers why a GSEA result is a deterministic function of three implicit choices (the ranking STATISTIC, the weight exponent p, and which LABELS are permuted), why the input must be a NAMED vector sorted DECREASING by a signed variance-calibrated metric (DESeq2 stat, limma t) not a raw p-value that erases direction, why preranked gene-permutation is anti-conservative for correlated sets (CAMERA is the fix), why nPerm is gone (eps governs tiny p), and why set.seed is required. Use when every gene carries a DE statistic, when a hard cutoff is arbitrary, or when ORA finds nothing. For gene-list ORA see go-enrichment; the ranking statistic comes from differential-expression/de-results.
- ▌ Bio Phylo Tree Io · pku-yuangroup bundleRead, write, and convert phylogenetic tree files with Biopython Bio.Phylo, and choose an annotation-preserving parser (treeio, DendroPy) when metadata matters. Covers why a tree file is a lossy serialization, why format conversion silently drops BEAST/MrBayes node annotations (posteriors, HPD intervals, rates), the Newick support-vs-label ambiguity that mislabels bootstrap values, and the Nexus TRANSLATE and rooted/unrooted traps. Use when parsing Newick, Nexus, NHX, phyloXML, or NeXML, converting between formats, handling posterior tree sets, or moving annotated BEAST trees without losing the credible intervals. Routes annotation-critical reads to DendroPy or treeio and orthology/alignment context to sibling skills.
- ▌ Bio Alignment Io · pku-yuangroup bundleRead, write, and convert multiple sequence alignment files using Biopython Bio.AlignIO. Supports Clustal, PHYLIP, Stockholm, FASTA, Nexus, and other alignment formats for phylogenetics and conservation analysis. Use when reading, writing, or converting alignment file formats.
- ▌ Bio Proteomics Data Import · pku-yuangroup bundleLoads mass-spectrometry data into Python/R and strips the search engine's bookkeeping before any number is trusted -- removes decoys (REV__/Reverse), contaminants (CON__/Potential contaminant), Only-identified-by-site groups, and resolves semicolon razor/leading protein-ID ambiguity in MaxQuant proteinGroups.txt, DIA-NN report.parquet, and mzML/mzXML. Distinguishes Intensity (raw) vs LFQ intensity (MaxLFQ) vs iBAQ, treats a MaxQuant zero as missing (NaN, not log2(-inf)), and inherits the acquisition mode's missingness contract (DDA MNAR vs DIA MCAR). Use when starting an analysis from raw spectra or a search engine output. Downstream normalization and stats are differential-abundance; reporter-ion/MaxLFQ quant is quantification; protein grouping is protein-inference.
- ▌ Bio Read Qc Fastp Workflow · pku-yuangroup bundleRuns all-in-one FASTQ preprocessing with fastp in a single pass - adapter trimming via paired-end overlap analysis, quality/length filtering, 2-color poly-G removal, base correction, optional dedup/UMI/merge, and HTML/JSON reports. Use when preprocessing bulk Illumina data and wanting one fast tool instead of separate Cutadapt, Trimmomatic, and FastQC steps. For precise small-RNA/amplicon adapters use adapter-trimming; for molecule-accurate UMI dedup use umi-processing.
- ▌ Bio Read Qc Umi Processing · pku-yuangroup bundleExtracts UMIs and collapses reads to original molecules with umi_tools (directional dedup) or builds error-corrected single-strand/duplex consensus reads with fgbio. Use when the library has UMIs and accurate molecule counting or below-sequencer-floor error correction is needed - single-cell, low-input RNA-seq, targeted panels, and ctDNA/liquid-biopsy rare-variant detection. For UMI extraction during QC use fastp-workflow; do not dedup non-UMI bulk RNA-seq.
- ▌ Bio Ribo Seq Orf Detection · pku-yuangroup bundleDetect and quantify translated ORFs from Ribo-seq using 3-nucleotide periodicity, including uORFs, internal ORFs, dORFs, and novel ORFs. Use when finding actively translated regions beyond annotated CDS, classifying ORFs by the 2022 community standard, quantifying ORF-level translation, or choosing between periodicity-based callers.
- ▌ Bio Single Cell Clustering · pku-yuangroup bundleDimensionality reduction and graph-based clustering for single-cell RNA-seq with Scanpy (Python) and Seurat (R). Resolves which algorithm to use (Leiden vs Louvain), how many PCs and neighbors to set, how to sweep and validate resolution, when a split is over-clustering, and why post-clustering marker p-values are not valid inference. Use when clustering cells, choosing a clustering resolution, deciding whether two clusters are one population, building a UMAP/tSNE, or judging whether clusters are real.
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- ▌ Bio Workflows Grn Pipeline · pku-yuangroup bundleOrchestrates gene regulatory network inference from processed single-cell data to regulons and in-silico perturbation, via pySCENIC (RNA-only GRNBoost2 -> cisTarget -> AUCell), SCENIC+ (multiome cisTopic -> pycistarget -> eGRN), and CellOracle perturbation. Use when recognizing that an inferred GRN is UNDIRECTED by default and reporting only the evidence tier delivered (co-expression vs motif-pruned vs enhancer-resolved vs perturbation), matching species/assembly/namespace across the TF-list + cisTarget DB + motif2TF annotation, feeding RAW counts of the cleaned/doublet-free/batch-controlled cells (never imputed/batch-corrected values), running the cisTarget pruning that buys directionality (modules are not regulons without it), or choosing the RNA-only vs multiome path. Hands mechanism to the gene-regulatory-networks component skills; not a re-teach of any single step.
- ▌ Bio Workflows Hic Pipeline · pku-yuangroup bundleEnd-to-end Hi-C analysis workflow from FASTQ to compartments, TADs, and loops, with the decision of WHICH features the sequencing depth can support. Covers pairtools read-pair processing and library QC, cooler matrices, ICE balancing and distance-decay expected, A/B compartments, TAD boundaries, loop calling, and the routing of HiChIP/PLAC-seq/Capture Hi-C to protein-directed loop callers. Use when processing Hi-C data end to end, deciding a resolution for a given depth, or choosing between bulk-Hi-C and protein-directed loop calling.
- ▌ Bio Workflows Imc Pipeline · pku-yuangroup bundleOrchestrates imaging mass cytometry from raw MCD acquisitions to patient-level spatial analysis, chaining steinbock preprocessing, Mesmer/Cellpose segmentation, single-cell quantification, phenotyping, and squidpy spatial statistics. Use when committing the panel + segmentation frame + pixel size (every per-cell number is a mask-bounded pixel average), compensating channel spillover on PIXELS before segmentation but running REDSEA lateral-spillover on the per-cell table AFTER segmentation, using arcsinh cofactor 1 (not the suspension-CyTOF 5), and aggregating to the PATIENT before any cross-condition test (cells and ROIs from one patient are not independent replicates). Hands mechanism to the imaging-mass-cytometry component skills; not a re-teach of any single step.
- ▌ Bio Workflows Rnaseq To De · pku-yuangroup bundleOrchestrates the end-to-end bulk RNA-seq differential-expression pipeline from FASTQ to an annotated DE gene table, chaining fastp QC/trim, Salmon (decoy-aware) or STAR+featureCounts quantification, tximport gene-level collapse, DESeq2/edgeR/limma-voom testing, apeglm shrinkage, and VST-based visualization. Use when committing the reference release and gene-ID namespace once for the whole run, sequencing steps in the defensible order (tximport before DE, raw counts into the model, VST only for viz/clustering), choosing alignment-free vs align-then-count and the DE engine, setting strandedness correctly, keeping batch in the design instead of correcting-then-testing, or handing the signed ranking statistic to downstream enrichment. Hands mechanism to the component skills; not a re-teach of any single step.
- ▌ Bio Workflows Tcr Pipeline · pku-yuangroup bundleOrchestrates an end-to-end immune-repertoire pipeline from FASTQ to clonotypes, diversity, overlap, somatic hypermutation and lineages, routing on two forks. Use when deciding bulk vs single-cell (bulk amplicon/RNA-seq -> MiXCR analyze preset -> VDJtools/immunarch depth-normalized diversity and overlap -> figures; 10x paired VDJ -> MiXCR 10x preset or Cell Ranger -> scirpy gene-expression integration, chain QC, clonotype clusters); and TCR vs BCR (TCR -> exact CDR3-nt+V/J clonotypes, VDJtools diversity is fine; BCR -> somatic hypermutation makes exact clonotypes wrong -> Immcantation distToNearest/findThreshold clonal clustering, germline reconstruction, SHM, Dowser lineages); selecting the MiXCR 4.x preset by chemistry and activating its license; downsampling to equal depth before comparing diversity or overlap; and optionally annotating antigen specificity.
- ▌ Bio Chipseq Motif Analysis · pku-yuangroup bundleDiscovers de novo motifs and tests known motif enrichment in ChIP-seq, ATAC-seq, or other peak sequences using HOMER, MEME-ChIP (STREME, CentriMo, TOMTOM, FIMO), monaLisa, and AME. Handles background selection (GC-matched, dinucleotide-shuffled, Markov order-2, peak-flanks), motif databases (JASPAR 2024 CORE PWMs, JASPAR 2026 deep-learning collection, HOCOMOCO v12, HOMER built-in), centrally-enriched motif testing, and differential motif analysis. Use when identifying TF binding motifs in peaks, testing for known TF enrichment, scanning for motif instances, comparing motif content between conditions, or interpreting motifs from deep learning models.
- ▌ Bio Clip Seq Clip Alignment · pku-yuangroup bundleAlign preprocessed CLIP-seq reads (eCLIP, iCLIP, iCLIP2, PAR-CLIP) to genome with STAR or bowtie2 using crosslink-preserving parameters, choosing between unique-mapper-only and multi-mapper-aware alignment for repeat-binding RBPs, deciding STAR vs HISAT2 memory trade-offs, and applying ENCODE-compatible filters. Use when turning preprocessed CLIP FASTQ into a deduplicated, MAPQ-filtered BAM ready for peak calling or crosslink-site detection.
- ▌ Bio Copy Number Hrd Scoring · pku-yuangroup bundleQuantify homologous recombination deficiency (HRD) from tumor copy number using the three genomic-scar metrics — loss of heterozygosity (LOH), large-scale state transitions (LST), and telomeric allelic imbalance (TAI) — with scarHRD, and via the whole-genome HRDetect and CHORD models. Covers the genomic instability score, the PARP-inhibitor clinical context, whole-genome-doubling correction, and the scar-versus-state distinction. Use when computing an HRD score for PARP-inhibitor eligibility, deriving LOH/LST/TAI scars from allele-specific copy number, deciding between scar-based and mutational-signature HRD methods, or interpreting an HRD result in a BRCA-reverted or low-purity tumor.
- ▌ Bio Metabolomics Lipidomics · pku-yuangroup bundleAssigns honest lipid annotation levels, designs class-based internal-standard quantification, and runs lipid-aware differential and enrichment analysis with lipidr, guarding against in-source-fragment phantoms, sn-position over-claims, and invalid cross-class quantification. Use when naming or canonicalizing lipid species (shorthand separators, Goslin), deciding shotgun vs RP vs HILIC LC-MS, picking internal standards (SPLASH/EquiSPLASH), interpreting MS-DIAL/LipidSearch output, or comparing lipid classes. For general feature detection see metabolomics/xcms-preprocessing and metabolomics/msdial-preprocessing; for non-lipid annotation confidence see metabolomics/metabolite-annotation; for normalization/QC see metabolomics/normalization-qc; for multivariate stats see metabolomics/statistical-analysis.
- ▌ Bio Proteomics Dia Analysis · pku-yuangroup bundleAnalyzes data-independent acquisition (DIA) proteomics by scoring reconstructed fragment-chromatogram peak groups against a decoy null with DIA-NN (library-free directDIA, library-based, or deep-learning predicted-library routes), Spectronaut, OpenSWATH, and EncyclopeDIA. Frames the deliverable around q-value LEVEL (precursor/peptide/protein-group) and CONTEXT (run vs experiment-wide/global) rather than a bare "1% FDR", and around the duty-cycle-vs-selectivity acquisition tradeoff (window design, staggered demultiplexing, diaPASEF, narrow-window Astral). Use when identifying and quantifying proteins from DIA mass spectrometry runs and filtering DIA-NN report.parquet/matrix output. Building the spectral library itself is spectral-libraries; normalization and protein roll-up is quantification; statistical testing of the matrix is differential-abundance.
- ▌ Bio Proteomics Ptm Analysis · pku-yuangroup bundleFrames PTM/phosphoproteomics analysis as three stacked inference layers on a biased enrichment - chemistry selection, site localization (FLR), and protein-level-adjusted quantification with MSstatsPTM - plus kinase-activity and functional triage. Covers MaxQuant Phospho (STY)Sites multiplicity expansion, localization-probability filtering (class I, Ascore, ptmRS, DIA EG.PTMLocalizationProbabilities, DIA-NN PTM.Site.Confidence), false localization rate (LuciPHOr/DeepFLR), motif analysis with experiment-matched backgrounds, diGly/K-GG ubiquitin specificity, acetyl/glyco traps, and KSEA/PTM-SEA. Use when localizing and quantifying phosphorylation, acetylation, ubiquitination, or glycosylation sites from enrichment-based runs and deciding whether an apparent site change is real after subtracting protein abundance. Peptide ID and open/variable-mod search is peptide-identification; underlying protein-level quant is quantification and differential-abundance; DIA acquisition mechanics is dia-analysis.
- ▌ Bio Read Qc Quality Reports · pku-yuangroup bundleGenerates and interprets per-file and cross-sample QC reports from FASTQ data with FastQC, falco, and MultiQC, covering Phred quality, per-base composition, GC, duplication, overrepresented sequences, and adapter content. Use when performing initial QC on raw sequencing reads, validating preprocessing, or judging a multi-sample cohort for outliers and batch effects. For long reads use NanoPlot; for adapter/quality remediation route to adapter-trimming, quality-filtering, or fastp-workflow.
- ▌ Bio Reporting Figure Export · pku-yuangroup bundleExports publication-ready figures with the correct vector/raster split, embedded editable fonts, color-space-robust palettes, and journal-correct sizing and resolution in matplotlib and ggplot2. Use when preparing figures for journal submission, exporting a dense single-cell or GWAS plot without producing an unopenable vector file, or fixing fonts and colors that break in print.
- ▌ Bio Single Cell Perturb Seq · pku-yuangroup bundleAnalyze Perturb-seq / CROP-seq single-cell CRISPR screens. Use when assigning guides as a mixture problem, removing non-perturbed escaper cells with Mixscape, choosing a calibrated test (SCEPTRE conditional resampling) over naive DE, quantifying effect size with E-distance, separating compositional shifts from within-state expression change, or judging whether a perturbation-prediction foundation model actually beats a baseline.
- ▌ Bio Workflows Clip Pipeline · pku-yuangroup bundleEnd-to-end CLIP-seq pipeline from FASTQ to ENCODE-compliant binding sites, single-nucleotide crosslink maps, annotation, motifs, and (optionally) differential binding. Use when running the full Yeo lab eCLIP / iCLIP / iCLIP2 / iCLIP3 / irCLIP / PAR-CLIP analysis with SMInput control, protocol-specific UMI extraction, ENCODE STAR parameters, CLIPper or Skipper peak calling with stringent log2 FC and -log10 p thresholds, IDR rescue and self-consistency QC, and downstream motif registration with mCross or PEKA.
- ▌ Bio Workflows Edna Pipeline · pku-yuangroup bundleEnd-to-end eDNA metabarcoding from raw amplicons to community ecology. Covers QC, primer removal (mandatory before DADA2 filterAndTrim), denoising with OBITools3 v3 (obi stats plural; DMS-based) or DADA2 ASVs (Callahan 2017), decontam combined method as screening-not-classifier (Davis 2018), tag-jumping (Schnell 2015) with a platform-dependent baseline (NovaSeq patterned flow cells ~10x MiSeq), Hill-number effective species counts with coverage-based rarefaction (Jost 2006; Chao & Jost 2012; doubling rule), beta-diversity decomposition with MANDATORY PERMANOVA + PERMDISP pair (Anderson & Walsh 2013), constrained ordination, and the read-counts-not-abundance critique (Lamb 2019). Use when processing eDNA samples for biodiversity assessment, deciding ASV vs OTU, configuring OBITools3 v3, interpreting decontam screening, or reporting community comparisons with the dispersion confound check.
- ▌ Bio Workflows Gwas Pipeline · pku-yuangroup bundleOrchestrates the GWAS pipeline from genotypes to association results, chaining PLINK2 QC (variant-then-sample missingness, controls-only HWE, KING relatedness), panel harmonization + joint phasing/imputation to dosages, long-range-LD-excluded PCA, and an engine chosen by sample structure (PLINK2-GLM / regenie / SAIGE / BOLT-LMM), with LDSC-intercept diagnostics. Use when committing the genome build + ancestry-matched imputation panel once (ancestry match > panel size), running the strand/allele harmonization gate (drop intermediate-frequency palindromes), imputing cases+controls TOGETHER on dosages, excluding long-range-LD regions before PCA, choosing an LMM when relatedness/structure is present (PCs cannot remove a covariance), or separating polygenicity from confounding via the LDSC intercept. Hands mechanism to the population-genetics and phasing-imputation component skills; not a re-teach of any single step.
- ▌ Bio Alignment Msa Statistics · pku-yuangroup bundleCalculate alignment statistics including sequence identity, conservation scores, substitution matrices, and similarity metrics. Use when comparing alignment quality, measuring sequence divergence, and analyzing evolutionary patterns.
- ▌ Bio Atac Seq Motif Deviation · pku-yuangroup bundleAnalyze TF motif accessibility variability across samples or single cells using chromVAR. Use when identifying TF motifs whose accessibility correlates with conditions, computing per-sample motif z-scores after matched background correction, comparing to ArchR / Signac equivalents, or distinguishing motif-accessibility signal from per-site footprinting.
- ▌ Bio Chipseq Cut And Run Tag · pku-yuangroup bundleAnalyzes CUT&RUN (Skene Henikoff 2017) and CUT&Tag (Kaya-Okur 2019) chromatin profiling data. Handles SEACR vs MACS2 peak calling (with the btaf375 2025 benchmark guidance), pA-MNase vs pA-Tn5 vs pAG-Tn5 chimera differences, E. coli spike-in carryover normalization, IgG-only control logic (no input), characteristic fragment-size signatures (25-75 bp for CUT&Tag), and lower depth requirements (5M reads typical vs 25M for ChIP). Use when calling peaks from CUT&RUN/CUT&Tag, scaling by E. coli spike-in carryover, choosing SEACR norm mode, or comparing CUT&RUN/Tag results to traditional ChIP.
- ▌ Bio Chipseq Peak Annotation · pku-yuangroup bundleAnnotates ChIP-seq peaks to genomic features, nearest genes, ENCODE candidate cis-regulatory elements (cCREs), and regulatory domains. Uses ChIPseeker (R), HOMER annotatePeaks.pl (CLI), pyranges (Python), GREAT/rGREAT (regulatory domain gene-set enrichment), ChIP-Enrich (locus-length-adjusted), ENCODE SCREEN cCRE classification (PLS/pELS/dELS/CA-CTCF/CA-H3K4me3), and ENCODE-rE2G for cell-type-specific enhancer-gene linking. Handles nearest-TSS vs host-gene ambiguity, promoter window definition, and feature priority. Use when assigning genomic context to peaks, linking enhancer peaks to target genes, classifying peaks against ENCODE cCRE registry, or running gene-set enrichment on peak-associated genes.
- ▌ Bio Chipseq Super Enhancers · pku-yuangroup bundleIdentifies super-enhancers from H3K27ac, MED1, or BRD4 ChIP-seq using ROSE, ROSE2, LILY, HOMER -style super, and ENCODE dELS cross-referencing. Handles peak stitching parameters, ranking choices, hockey-stick inflection, marker choice (H3K27ac vs MED1/BRD4), and cross-condition comparison with spike-in normalization. Constructs core regulatory circuitry (Saint-Andre 2016) from SE-encoded TFs. Use when identifying cell-identity / cancer-associated regulatory domains, comparing super-enhancers between conditions, identifying master transcription factor networks, or predicting BET-inhibitor responsiveness.
- ▌ Bio Crispr Screens Screen Qc · pku-yuangroup bundleQuality control for pooled CRISPR screens covering library representation, Gini index, log-skew, replicate Pearson and Spearman concordance, essentialome precision-recall AUC against CEGv2 (Hart 2017), Cas9 cut-toxicity diagnostics, copy-number amplicon detection (Aguirre 2016 / Munoz 2016), bottleneck propagation through plasmid pool, infection, selection, and endpoint stages, MOI verification, and DepMap-style screen-quality scoring. Use when assessing screen quality before hit calling, deciding whether to repeat or rescue a screen, diagnosing low-confidence hits, choosing between MAGeCK / BAGEL2 / Chronos based on quality grade, picking a normalization strategy from QC signatures, or evaluating whether an in-vivo screen retained adequate library complexity.
- ▌ Bio Geo Data · pku-yuangroup bundleQuery and download from NCBI Gene Expression Omnibus (GEO) and EMBL-EBI's BioStudies/ArrayExpress mirror. Use when finding expression datasets, navigating SuperSeries vs SubSeries, choosing between series-matrix (submitter-normalized) and raw supplementary files, downloading via GEOparse (Python) or GEOquery (R/Bioconductor), linking GEO to SRA for raw reads, or distinguishing GSE/GSM/GPL/GDS record types. Encodes the SuperSeries trap, the series-matrix normalization-trust caveat, GEOmetadb deprecation, ArrayExpress migration to BioStudies, and processed-vs-raw decision matrix.
- ▌ Bio Sra Data · pku-yuangroup bundleDownload raw sequencing reads from NCBI SRA using sra-tools (prefetch, fasterq-dump, vdb-validate) or the ENA mirror. Use when pulling FASTQ for SRR/ERR/DRR accessions, deciding between SRA-direct, ENA mirror, or AWS/GCP cloud mirror (STRIDES), handling --include-technical for 10x and other single-cell records, validating with MD5/vdb-validate, navigating SRR/SRX/SRS/SRP/PRJNA hierarchy, or finding accessions via pysradb. Encodes SRA cloud-egress economics, the fasterq-dump uncompressed-scratch trap, and the --max-size default that silently truncates large prefetches.
- ▌ Bio Proteomics Proteomics Qc · pku-yuangroup bundleQuality control for bottom-up proteomics across three levels -- instrument/raw-signal (mass accuracy, RT/iRT fit, FWHM, TIC vs injection time, % MS2 identified), identification/run (missed cleavages, charge states, PTM handling artifacts, contaminants), and experiment/quantitative (replicate correlation on log2, CV on the linear scale, completeness, MNAR-vs-MCAR missingness, PCA/batch, TMT channel balance, DIA q-values). Frames QC as a control chart against a per-instrument rolling baseline, not fixed cutoffs, and mandates inspecting raw boxplots, per-sample ID counts, total signal, and contaminant removal BEFORE normalizing -- because median normalization erases loading failures. Use when assessing proteomics data quality, diagnosing outlier samples, or deciding which samples to exclude before differential testing. The statistical test itself is differential-abundance; normalization mechanics are quantification; DIA q-value internals are dia-analysis.
- ▌ Bio Read Qc Adapter Trimming · pku-yuangroup bundleRemoves sequencing adapters from FASTQ reads with Cutadapt and Trimmomatic, including paired-end read-through, small-RNA 3' adapters, amplicon primers, and anchored/linked adapters. Use when FastQC shows adapter content climbing toward the 3' end, when inserts are shorter than the read length (small-RNA, cfDNA, FFPE), or before assembly/k-mer analysis. For all-in-one trimming use fastp-workflow; for quality/length filtering use quality-filtering.
- ▌ Bio Reporting Quarto Reports · pku-yuangroup bundleBuilds reproducible Quarto reports, presentations, and websites across R, Python, and Julia, with correct engine selection, cache-vs-freeze semantics, native cross-references, parameters, and environment pinning. Use when creating a Quarto report of an analysis, setting up freeze for CI, or debugging cross-references, caching, or working-directory issues.
- ▌ Bio Workflows Merip Pipeline · pku-yuangroup bundleOrchestrates an end-to-end MeRIP-seq / m6A-seq analysis from raw FASTQ to differential m6A peak calls and metagene plots, chaining fastp adapter trimming, STAR splice-aware alignment (NO deduplication for non-UMI MeRIP), deepTools replicate-concordance + IP-enrichment QC, PreSeq saturation curves, exomePeak2 (transcript-aware, GC-bias-aware negative-binomial GLM) peak calling, optional MACS3 broad-peak cross-check, DRACH motif confirmation as a sanity check (NOT a per-peak filter), exomePeak2 differential calling via the four-BAM-vector interface (bam_ip + bam_input control; bam_treated_ip + bam_treated_input treatment), ChIPseeker annotation, and the canonical Guitar metagene with stop-codon enrichment as the biological QC anchor. Use when running a complete MeRIP analysis from raw reads, when chaining the constituent epitranscriptomics skills (merip-preprocessing -> m6a-peak-calling -> m6a-differential -> modification-visualization), or when wrapping the pipeline in Snakemake / Nextflow.
- ▌ Bio Workflows Smrna Pipeline · pku-yuangroup bundleOrchestrates the end-to-end small RNA-seq pipeline from FASTQ to differential miRNAs and expression-filtered targets, chaining kit-aware cutadapt trimming (adapter on every read, UMI/4N handling), miRge3 known+isomiR quantification or miRDeep2 novel discovery, compositionally-aware DESeq2, and miRanda target prediction. Use when committing the library-kit adapter/UMI handling once, choosing the NORMALIZER (which drives which miRNAs are called DE more than the DE model does), deciding known quantification vs novel discovery, handling biofluid/plasma libraries that lack a trustworthy endogenous normalizer, routing tRF/piRNA reads to their own profiling, or feeding RAW (not RPM) counts with size-factor inspection into DE. Hands mechanism to the small-rna-seq component skills; not a re-teach of any single step.
- ▌ Bio Atac Seq Co Accessibility · pku-yuangroup bundleInfer cis-regulatory connections (peak-to-peak co-accessibility) from scATAC-seq using Cicero, ArchR getCoAccessibility, or SCENIC+. Use when linking enhancer accessibility to promoter accessibility, identifying enhancer-gene pairs from chromatin alone (without paired RNA), running gene-regulatory inference combining ATAC + RNA, or comparing predicted regulatory contacts against Hi-C/Micro-C ground truth.
- ▌ Bio Atac Seq Single Cell Atac · pku-yuangroup bundleProcess and analyze single-cell ATAC-seq data with Signac, ArchR, SnapATAC2, or Cell Ranger ATAC. Use when handling 10X scATAC or 10X Multiome (paired RNA+ATAC) data, performing per-cell QC, choosing between ArchR/Signac/SnapATAC2 ecosystems, building per-cluster consensus peaksets, integrating with paired scRNA-seq, doublet detection (AMULET vs ArchR vs scDblFinder), or running pseudobulk differential accessibility per cluster.
- ▌ Bio Copy Number Recurrent Cnv · pku-yuangroup bundleIdentify recurrent and driver copy number alterations across a tumor cohort with GISTIC2 (G-score, Ziggurat deconstruction, focal vs broad/arm-level analysis, q-values from permutation) and quantify copy-number signatures with the Steele 2022 COSMIC framework and the Drews 2022 CINSignatures framework. Covers driver-gene localization from recurrence peaks, distinguishing focal drivers from arm-level passengers, and the caller-sensitivity caveats of copy-number signatures. Use when finding recurrently amplified or deleted regions in a cohort, localizing driver genes, separating focal from broad events, running GISTIC2, or extracting copy-number mutational signatures.
- ▌ Bio Hi C Analysis Hic Data Io · pku-yuangroup bundleLoads, converts, and manipulates Hi-C contact matrices in cooler format (.cool/.mcool/.scool) and Juicer .hic, using cooler (Python + CLI), hic2cool, and hictk. Covers the single-resolution mcool URI (file.mcool::/resolutions/<bp>), the load-bearing divisive-vs-multiplicative weight-naming rule (KR/VC/VC_SQRT auto-divisive vs cooler's multiplicative weight), what survives .hic<->.cool conversion (FRAG matrices and norm vectors do not), raw-vs-balanced coarsening, the .pairs upper-triangle/chromsize-order contract, and chrom-naming/bin-table provenance. Use when loading a cooler, converting .hic to .mcool, selecting a resolution, building a cooler from pairs or a matrix, coarsening/zoomifying, importing Juicer norm vectors, or debugging all-NaN balanced matrices and chr1-vs-1 empty fetches.
- ▌ Bio Proteomics Quantification · pku-yuangroup bundleQuantifies protein abundance from mass spectrometry using label-free (LFQ/MaxLFQ, DIA fragment-level), isobaric (TMT/iTRAQ reporter ions, MS2 vs SPS-MS3), and metabolic (SILAC) approaches, including peptide-to-protein summarization (Tukey median polish, MaxLFQ, msqrob), sample-loading and IRS cross-plex normalization, and isotopic impurity correction. Use when turning peptide/PSM/reporter signal into a protein-by-sample abundance matrix for downstream analysis. Statistical testing of that matrix is differential-abundance; DIA quant mechanics and DIA-NN runs are dia-analysis; reading search-engine outputs is data-import; razor/shared-peptide group assignment is protein-inference.
- ▌ Bio Read Qc Quality Filtering · pku-yuangroup bundleFilters reads by quality, length, N content, and complexity with Trimmomatic, fastp, and Cutadapt, including sliding-window trimming, per-read unqualified-base filtering, and 2-color poly-G removal. Use when reads have poor-quality tails, when an assembly or k-mer workflow needs clean input, or when a junk read subpopulation must be dropped. For adapter removal use adapter-trimming; for all-in-one preprocessing use fastp-workflow.
- ▌ Bio Reporting Jupyter Reports · pku-yuangroup bundleRuns parameterized Jupyter notebooks as reproducible batch report generators with papermill, renders them to HTML/PDF with nbconvert, aggregates results across samples, and makes notebook outputs trustworthy. Use when generating per-sample analysis reports, executing a notebook template across many datasets, or fixing notebooks that do not reproduce.
- ▌ Bio Fastq Quality · pku-yuangroup bundleWork with FASTQ quality scores using Biopython - access Phred scores, filter and trim by quality, compute per-position profiles, and convert between Sanger/Phred+33, Solexa, and Illumina/Phred+64 encodings. Use when analyzing read quality, filtering or trimming low-quality bases, generating quality reports, or deciding which FASTQ quality encoding a file uses before parsing.
- ▌ Bio Single Cell Cnv Inference · pku-yuangroup bundleInfer large-scale copy-number alterations from tumor single-cell or single-nucleus RNA-seq to separate malignant from normal cells and call subclones, using inferCNV, copyKAT, Numbat, and SCEVAN. Use when separating malignant from normal cells in a tumor scRNA-seq dataset, inferring chromosome-arm CNVs or aneuploidy from expression, calling tumor subclones from single cells, choosing a CNV-inference method (reference-based vs reference-free, expression-only vs allele-aware), or deciding which cells are tumor before downstream analysis.
- ▌ Bio Single Cell Preprocessing · pku-yuangroup bundleQuality control, ambient-RNA handling, normalization, and feature selection for single-cell RNA-seq using Scanpy (Python) and Seurat (R). Use when filtering low-quality cells with MAD-adaptive thresholds, setting tissue-aware mito cutoffs, removing ambient RNA (SoupX/CellBender/DecontX), choosing a normalization (shifted-log vs scran vs sctransform vs Pearson residuals), selecting highly variable genes, or deciding whether to scale and regress out covariates.
- ▌ Bio Atac Seq Atac Peak Calling · pku-yuangroup bundleCall accessible chromatin regions from ATAC-seq BAM files using MACS3, MACS2, Genrich, or HMMRATAC. Use when identifying open chromatin from aligned ATAC-seq, choosing between point-source vs HMM peak callers, applying ENCODE-style pseudoreplicate IDR, removing blacklist regions, or fixing 501bp consensus peaks for downstream differential analysis.
- ▌ Bio Atac Seq Consensus Peakset · pku-yuangroup bundleBuild a differential-ready consensus peakset from per-replicate ATAC-seq peaks using iterative overlap removal, fixed-width re-centering, and majority-rule overlap. Use when generating a stable peak coordinate system for downstream differential accessibility, ML feature engineering, cross-sample comparison, or fixed-width peak counts; covers Corces 2018 iterative overlap (501 bp), DiffBind summit re-centering, and ENCODE consistency rules.