datamol-cheminformatics
Pythonic RDKit wrapper with sensible defaults for drug discovery. SMILES parsing, standardization, descriptors, fingerprints, similarity, clustering, diversity selection, scaffold analysis, BRICS/RECAP fragmentation, 3D conformers, and visualization. Returns native rdkit.Chem.Mol.
Install / Use
npx skills add jaechang-hits/SciAgent-Skills --skill datamol-cheminformaticsInstalls into whichever agent you are using.
SKILL.md
Installable skill definition
Quality Score
Category
AutomationSupported Platforms
Our assessment of datamol-cheminformatics
datamol-cheminformatics scores 83/100 on our quality scale, 2230th of 2,867 Automation skills we index.
We have not analysed the SKILL.md file itself yet, so the content part of this score is an estimate until our crawler reaches it.
It has 367 GitHub stars, a meaningful sign that others use it.
Maintenance, license and trust
- The repository was last updated 37 days ago, so datamol-cheminformatics is actively maintained.
- No license is declared. By default that means all rights are reserved: you can read it, but reusing or redistributing it is not clearly permitted. Ask the author before building on it commercially.
- Its trust signals score 88/100, with 1 caution from licensing, adoption, age or documentation. These come from repository metadata, not a code audit — read the skill file before letting an agent act on it.
datamol-cheminformatics compared with similar skills
All 4 of these similar skills score higher than datamol-cheminformatics; compare them before choosing.
| Skill | Score | Stars | Updated | Format |
|---|---|---|---|---|
| datamol-cheminformatics (this skill)by jaechang-hits | 83 | 367 | 37d ago | SKILL.md |
| Agent-Reachby Panniantong | 100 | 91.2k | 19d ago | CLAUDE.md |
| headroomby headroomlabs-ai | 100 | 74.4k | today | CLAUDE.md |
| Scraplingby D4Vinci | 100 | 85.7k | today | MCP Server |
| crawl4aiby unclecode | 100 | 84.8k | 10d ago | MCP Server |
Frequently asked questions
- How do I install datamol-cheminformatics?
- Run
npx skills add jaechang-hits/SciAgent-Skills --skill datamol-cheminformatics. The install tabs above show the steps for each supported agent. - Which AI agents does datamol-cheminformatics work with?
- It is written for Universal, as a SKILL.md file. Other agents that read the same format can often use it too.
- Is datamol-cheminformatics safe to use?
- It declares no license and scores 88/100 on trust signals. Skills are instructions an agent will follow, so read the file before installing it and do not approve commands you do not understand.
- Is datamol-cheminformatics still maintained?
- The repository was last updated 37 days ago, so datamol-cheminformatics is actively maintained.
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Languages
Trust signals
From repository metadata: license, adoption, age and documentation. Not a code audit — see the Safety scan above for what the skill file itself contains.