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| Dependency | Optional | Group |
|---|---|---|
| click | false | |
| h5py | false | |
| jinja2 | false | |
| numpy | false | |
| nvalchemi-toolkit-ops | false | |
| pyyaml | false | |
| requests | false | |
| torch | false | |
| warp-lang | false | |
| ase | true | ase |
| huggingface-hub | true | hf |
| omegaconf | true | train |
| pysisyphus | true | pysis |
| pytorch-ignite | true | train |
| safetensors | true | hf |
| sella | true | sella |
| torch-sim-atomistic | true | torchsim |
| wandb | true | train |