rdkit-chemoinformatics
RDKit chemoinformatics skill for molecular property calculation and compound library management
Profile →npx skills add a5c-ai/babysitter --skill rdkit-chemoinformatics --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
# RDKit Chemoinformatics Skill ## Purpose Provide RDKit chemoinformatics for molecular property calculation and compound library management. ## Capabilities - Molecular descriptor calculation - SMILES/InChI handling - Substructure searching - Fingerprint generation - ADMET property prediction - Compound library filtering ## Usage Guidelines - Standardize molecular representations - Calculate relevant descriptors for analysis - Use fingerprints for similarity searching - Filter libraries by drug-like properties - Predict ADMET properties for prioritization - Document descriptor and fingerprint types ## Dependencies - RDKit - Open Babel - ChEMBL ## Process Integration - Molecular Docking and Virtual Screening (molecular-docking)
- Purpose
- Capabilities
- Usage Guidelines
- Dependencies
- Process Integration
What does the rdkit-chemoinformatics skill do?
RDKit chemoinformatics skill for molecular property calculation and compound library management
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill rdkit-chemoinformatics --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From a5c-ai/babysitter, a repository with 1,642 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.