Results for “rmsd”

Kit de ferramentas de quiminformática para controle molecular refinado. Análise de SMILES/SDF, descritores (MW, LogP, TPSA), fingerprints, busca de subestruturas, geração 2D/3D, similaridade, reações. Para fluxos de trabalho padrão com interface mais simples, use datamol (wrapper do RDKit). Use rdkit para controle avançado, sanitização customizada, algoritmos especializados.

Econometrics skill for Regression Discontinuity Design (RDD). Activates when the user asks about: "regression discontinuity", "RDD", "RD design", "sharp RDD", "fuzzy RDD", "running variable", "forcing variable", "cutoff", "bandwidth selection", "local linear regression", "McCrary test", "density test", "RDROBUST", "continuity assumption", "donut hole RDD", "geographic RDD", "断点回归", "回归不连续", "运行变量", "截断值", "带宽选择", "精确断点", "模糊断点", "密度检验", "局部线性回归"

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

Decide when and how to assess minimal residual disease (MRD) in multiple myeloma — bone marrow MRD by next-generation flow (NGF) or sequencing (NGS), plus imaging MRD by PET-CT — and how to act on the result. Trigger when a clinician asks "how to assess MRD in myeloma", "MRD-negative complete response", "PET-CT for MRD", "is bone marrow MRD enough", "when to test for MRD", "next-generation flow for myeloma", or "myeloma sustained MRD negativity". Based on EHA-ESMO 2021.

Use when using RTMS.

Expert CSRD (Corporate Sustainability Reporting Directive, EU 2022/2464) compliance advisor. Use this skill whenever a user asks about CSRD, European Sustainability Reporting Standards (ESRS), double materiality assessment, sustainability reporting obligations, ESG disclosure, CSRD scope and thresholds, value chain reporting, XBRL digital tagging, third-party assurance, CSRD gap assessments, CSRD implementation timelines, ESRS E1–E5 environmental standards, ESRS S1–S4 social standards, ESRS G1 governance, CSRD vs GRI/TCFD/SASB alignment, or any EU corporate sustainability reporting question. Trigger even if the user only mentions "ESG reporting Europe", "sustainability disclosure EU", or "non-financial reporting".

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

Create a README.md file for the project

Generate a complete Rust Model Context Protocol server project with tools, prompts, resources, and tests using the official rmcp SDK.

Generates a comprehensive, well-structured README.md file for a project by analyzing the workspace and following best practices.

Generate red-phase acceptance test scaffolds using the TDD cycle. Use when the user says "lets write acceptance tests" or "I want to do ATDD"

Redis in-memory data store. Covers data structures, caching, and pub/sub. Use for caching and real-time features. USE WHEN: user mentions "redis", "caching", "session storage", "rate limiting", "pub/sub", "sorted sets", "in-memory database", "cache invalidation" DO NOT USE FOR: relational data - use `postgresql` or `mysql` instead, document storage - use `mongodb` instead, full-text search - use `elasticsearch` instead

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