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Author:
sugon-ai4s
Summary:
First release
Latest version:
0.3.0
Required dependencies:
args
|
ase
|
ase_db_backends
|
biopandas
|
biopython
|
biotite
|
braceexpand
|
chex
|
clusterscope
|
configargparse
|
contextlib2
|
datasets
|
deepxde
|
diffrax
|
dm-haiku
|
dm-tree
|
e3nn
|
einops
|
fiddle
|
flax
|
ftfy
|
gpytorch
|
h5py
|
huggingface_hub
|
hydra-core
|
ihm
|
importlib_metadata
|
lightning
|
lmdb
|
mashumaro
|
matplotlib
|
matscipy
|
megatron-core
|
ml-collections
|
mlflow
|
modelcif
|
mpi4py
|
nemo_run
|
netcdf4
|
ninja
|
numba
|
numpy
|
omegaconf
|
onnx
|
openfermion
|
opt_einsum
|
opt_einsum-fx
|
orjson
|
pandas
|
prettytable
|
psutil
|
py3dmol
|
pybind11
|
pymatgen
|
pyrsistent
|
pytest
|
python-hostlist
|
pytz
|
pyvista
|
pyyaml
|
rdkit
|
requests
|
ruamel.yaml
|
s3fs
|
scikit-image
|
scikit-learn
|
seaborn
|
sentencepiece
|
setuptools
|
shapely
|
submitit
|
termcolor
|
tiktoken
|
timm
|
torch-ema
|
torch-runstats
|
torch_geometric
|
torchdata
|
torchmetrics
|
torchtnt
|
tqdm
|
transformers
|
treelib
|
vtk
|
wandb
|
webdataset
|
xarray
|
xtb
|
zarr
|
zstandard
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