skills/claude-scientific-skills
1
0
Fork 0
mirror of https://github.com/K-Dense-AI/claude-scientific-skills.git synced 2026-03-28 07:33:45 +08:00
Code Issues Packages Projects Releases Wiki Activity

Fix descriptions to adhere to character limits

Browse Source
This commit is contained in:
Timothy Kassis
2025-10-21 09:33:30 -07:00
parent 163d6b9d6b
commit 32109101d0
83 changed files with 83 additions and 83 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
scientific-packages/rdkit/SKILL.md
View File

@@ -1,6 +1,6 @@
---
name: rdkit
description: "Comprehensive cheminformatics toolkit for molecular manipulation, analysis, and visualization. Use this skill when working with chemical structures (SMILES, MOL files, SDF, InChI), calculating molecular descriptors (molecular weight, LogP, TPSA, HBD/HBA), performing substructure searches with SMARTS patterns, generating molecular fingerprints (Morgan, RDKit, MACCS), visualizing molecules, processing chemical reactions, conducting drug discovery workflows, generating 2D/3D coordinates, calculating molecular similarity, clustering compounds, standardizing molecules, analyzing pharmacophores, or any cheminformatics/computational chemistry tasks involving molecular data processing, structure-activity relationships, virtual screening, or chemical informatics analysis."
description: "Cheminformatics toolkit for molecules. Parse SMILES/SDF, calculate descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, for drug discovery."
---
# RDKit Cheminformatics Toolkit