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Dependencies
- ase
- configargparse
- e3nn ==0.4.4
- gitpython
- h5py
- lmdb
- matplotlib
- matscipy
- numpy
- opt-einsum
- orjson
- pandas
- prettytable
- python-hostlist
- pyyaml
- torch >=1.12
- torch-ema
- torchmetrics
- tqdm
13 optional dependencies
- black[dev]
- cuequivariance-ops-torch-cu11[cueq-cuda-11]
- cuequivariance-ops-torch-cu12[cueq-cuda-12]
- cuequivariance-torch[cueq]
- fpsample[fpsample]
- isort[dev]
- mypy[dev]
- pre-commit[dev]
- pylint[dev]
- pytest[dev]
- pytest-benchmark[dev]
- schedulefree[schedulefree]
- wandb[wandb]