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Data & Analytics · By Hello-QM
6 skills found.
Product:
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Run LAMMPS molecular dynamics with DeePMD-kit machine learning potentials. | Hello-QM/ | 205 | 1 repo | ~1k | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 2 | Train DeePMD-kit machine learning potentials. An agent skill from Hello-QM/catgo-LRG. | Hello-QM/ | 205 | 1 repo | ~1.1k | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 3 | Route DeePMD-kit requests to training or inference sub-skills. | Hello-QM/ | 205 | 1 repo | ~377 | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 4 | A skill your agent uses when the user asks to reproduce the Kreitz 2021 Ni surface benchmark, run the MACE Ni benchmark, or compare a machine-learning potential (MACE, CHGNet, M3GNet) against DFT-D3… | Hello-QM/ | 205 | — | ~1.3k | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 5 | Run a CatGo file-first md-orchestration "campaign" — a multi-step / high-throughput computational-materials study (e.g. | Hello-QM/ | 205 | — | ~1k | Automated safety check: Pass | AGPL-3.0 | 16 days ago |
| 6 | 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 |
