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| Package | Optional | Group |
|---|---|---|
| nvalchemi-toolkit | true | aimnet |
| 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 |