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CUDA · Physical and earth sciences
4 skills found.
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Build and run LAMMPS molecular dynamics with isolated MLIP-specific binaries (MACE, MatGL/CHGNet, FairChem) to avoid Python and Torch stack conflicts. | learningmatter-mit/ | 176 | — | ~1.2k | Automated safety check: Pass | MIT | 3 days ago |
| 2 | Run and diagnose governed ASE plus fairchem UMA molecular dynamics on standardized adsorbed slabs, including NVT/NVE surface trajectories, pre-relaxation, periodic-boundary and collision checks… | Tai609/ | 100 | — | ~1.6k | Automated safety check: Pass | Unknown | 1 mo ago |
| 3 | Generate novel crystal structures and molecules using ADiT (All-atom Diffusion Transformer), a unified latent diffusion model. | learningmatter-mit/ | 176 | — | ~1.4k | Automated safety check: Pass | MIT | 3 days ago |
| 4 | 4.Uma Run structure relaxation and phonon calculations using Meta's UMA (Universal Materials Accelerator) via fairchem | lamm-mit/ | 246 | — | ~3.5k | Automated safety check: Pass | Apache-2.0 | 1 mo ago |
