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Author:
Kristof T. Schuett, Michael Gastegger, Stefaan Hessmann, Niklas Gebauer, Jonas Lederer
License:
COPYRIGHT
Copyright (c) 2018 Kristof Schütt, Michael Gastegger, Pan Kessel, Kim Nicoli
All other contributions:
Copyright (c) 2018, the respective contributor...
Summary:
SchNetPack - Deep Neural Networks for Atomistic Systems
Latest version:
2.2.0
Required dependencies:
ase
|
black
|
dirsync
|
fasteners
|
h5py
|
hydra-colorlog
|
hydra-core
|
matscipy
|
numpy
|
petname
|
pre-commit
|
progressbar
|
protobuf
|
pytest
|
pytorch_lightning
|
pyyaml
|
rich
|
sympy
|
tensorboard
|
tensorboardx
|
torch
|
torch-ema
|
torchmetrics
|
tqdm
|
vesin
Optional dependencies:
pytest
|
pytest-benchmark
|
pytest-datadir
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