Results for “rdkit”
8 skills
jackychenlu datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
0 · bundle
levalencia datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
3 · bundle
metinduraktr-44 datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
0 · bundle
More results
alterlab-ieu alterlab-datamol
Wraps RDKit in a high-level, pandas-friendly datamol interface with sensible defaults for everyday drug discovery — SMILES/SDF loading into DataFrames, molecule standardization, descriptors, fingerprints, Butina clustering, 3D conformer generation, scaffold analysis, and parallel batch processing, returning native rdkit.Chem.Mol objects. Use when running standard cheminformatics pipelines on molecule tables with minimal boilerplate; for low-level control, custom sanitization, or specialized algorithms prefer alterlab-rdkit. Part of the AlterLab Academic Skills suite.
60 · bundle
k-dense-ai datamol
Simplify molecular cheminformatics with a Pythonic wrapper around RDKit for SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, and parallel processing.
30.2k · bundle
chen-yu-hao datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
5 · bundle
mukul975 detecting-rootkit-activity
Detects rootkit presence on compromised systems by identifying hidden processes, hooked system calls, modified kernel structures, hidden files, and covert network connections using memory forensics, cross-view detection, and integrity checking techniques.
24.6k · bundle
dokhacgiakhoa loki-mode
Multi-agent autonomous startup system for Claude Code. Triggers on "Loki Mode". Orchestrates 100+ specialized agents across engineering, QA, DevOps, security, data/ML, business operations, marketing, HR, and customer success. Takes PRD to fully deployed, revenue-generating product with zero human intervention. Features Task tool for subagent dispatch, parallel code review with 3 specialized reviewers, severity-based issue triage, distributed task queue with dead letter handling, automatic deployment to cloud providers, A/B testing, customer feedback loops, incident response, circuit breakers, and self-healing. Handles rate limits via distributed state checkpoints and auto-resume with exponential backoff. Requires --dangerously-skip-permissions flag.
505 · bundle