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Summary:
None
Latest version:
0.3.16
Required dependencies:
ase
|
configargparse
|
e3nn
|
gitpython
|
h5py
|
lmdb
|
matplotlib
|
matscipy
|
numpy
|
opt-einsum
|
orjson
|
pandas
|
prettytable
|
python-hostlist
|
pyyaml
|
torch
|
torch-ema
|
torchmetrics
|
tqdm
Optional dependencies:
black
|
cuequivariance-ops-torch-cu11
|
cuequivariance-ops-torch-cu12
|
cuequivariance-torch
|
fpsample
|
isort
|
mypy
|
pre-commit
|
pylint
|
pytest
|
pytest-benchmark
|
schedulefree
|
torch-sim-atomistic
|
wandb
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