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Data & Analytics · RDKit · For researchers
3 skills found.
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Computes RDKit physicochemical descriptors and molecular fingerprints from SMILES through a uv-run CLI script that skips and logs invalid molecules. | jinzhezenggroup/ | 148 | — | ~2.3k | Automated safety check: Pass | LGPL-3.0 | 2 days ago |
| 2 | Calculates molecular descriptors and fingerprints using RDKit. | FreedomIntelligence/ | 3.1k | — | ~1.6k | Automated safety check: Pass | No licence | 2 mo ago |
| 3 | A skill your agent uses for RDKit data-file discovery, pharmacophore feature-definition files, PandasTools molecule DataFrames, lightweight database helpers, and public CLI-style integration… | VectorSpaceLab/ | 331 | — | ~946 | Automated safety check: Pass | BSD-3-Clause | 1 mo ago |
