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Python · By Hello-QM
3 skills found.
Category:
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.Gpaw Generate and manage GPAW Python-based DFT calculations. An agent skill from Hello-QM/catgo-LRG. | Hello-QM/ | 205 | — | ~1k | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 2 | Run DeePMD-kit inference to predict energies, forces, and stresses using a trained DP model. | Hello-QM/ | 205 | — | ~945 | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 3 | 3.Rdkit Use RDKit for molecular conformer generation, SMILES/InChI handling, molecular descriptors, fingerprints, and substructure searching. | Hello-QM/ | 205 | — | ~1.1k | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
