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| Dependency | Optional | Group |
|---|---|---|
| ase | false | |
| configargparse | false | |
| e3nn | false | |
| GitPython | false | |
| h5py | false | |
| lmdb | false | |
| matplotlib | false | |
| matscipy | false | |
| numpy | false | |
| opt_einsum | false | |
| orjson | false | |
| pandas | false | |
| prettytable | false | |
| python-hostlist | false | |
| pyYAML | false | |
| torch | false | |
| torch-ema | false | |
| torchmetrics | false | |
| tqdm | false | |
| black | true | dev |
| cuequivariance-ops-torch-cu11 | true | cueq-cuda-11 |
| cuequivariance-ops-torch-cu12 | true | cueq-cuda-12 |
| cuequivariance-torch | true | cueq |
| fpsample | true | fpsample |
| isort | true | dev |
| mypy | true | dev |
| pre-commit | true | dev |
| pylint | true | dev |
| pytest | true | dev |
| pytest-benchmark | true | dev |
| schedulefree | true | schedulefree |
| torch-sim-atomistic | true | torchsim |
| wandb | true | wandb |