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RDKit · By K-Dense-AI
3 skills found.
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Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity. | K-Dense-AI/ | 48k | 1 repo | ~3k | Automated safety check: Notes | MIT | 6 days ago |
| 2 | Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and… | K-Dense-AI/ | 48k | 1 repo | ~3k | Automated safety check: Notes | Apache-2.0 | 6 days ago |
| 3 | 3.Molfeat Featurizes small molecules with Molfeat for QSAR/QSPR, chemical similarity, virtual screening, and molecular ML. | K-Dense-AI/ | 48k | 1 repo | ~2.4k | Automated safety check: Notes | Apache-2.0 | 6 days ago |
