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Dependencies
- ase >=3.26.0
- ase-db-backends ==0.11.0
- cuequivariance ==0.6.0
- cuequivariance-ops-torch-cu12 ==0.6.0
- cuequivariance-torch ==0.6.0
- e3nn ==0.5.6
- fairchem-core
- huggingface-hub
- hydra-core
- lmdb ==1.6.2
- numba
- numpy ==1.26.4
- nvalchemi-toolkit-ops ==0.3.0
- orjson
- pydantic
- pymatgen ==2025.10.7
- pyyaml
- requests
- scikit-learn
- scipy ==1.16.1
- submitit ==1.5.3
- tensorboard
- torch ==2.9.1+cu126
- torch-geometric ==2.6.1
- torch-scatter ==2.1.2+pt29cu126
- torch-sparse ==0.6.18+pt29cu126
- torchtnt
- tqdm
- wandb
- wheel