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setup.cfg
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setup.cfg
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[metadata]
name = isdpainn
version = attr: __version__.__version__
author = Kiyou Shibata
author_email = kiyou@iis.u-tokyo.ac.jp
description = A message passing neural network with directional input and inversion symmetry-aware transformation based on PaiNN
long_description = file: README.md
long_description_content_type = text/markdown
license = MIT
url = https://github.com/nmdl-mizo/isdpainn
classifiers =
# https://pypi.python.org/pypi?:action=list_classifiers
Intended Audience :: Science/Research
Topic :: Scientific/Engineering :: Physics
Programming Language :: Python :: 3
License :: OSI Approved :: MIT License
Operating System :: OS Independent
[options]
python_requires = >=3.8, <3.12
packages = find:
install_requires =
torch
torch_geometric
torch_scatter
torch_sparse
torch_cluster
torch_spline_conv
ocp-models==0.0.3
ase
pyyaml
lmdb
orjson
syrupy
e3nn
[options.extras_require]
dev =
pytest
pytest_benchmark
ipykernel
[options.packages.find]
exclude =
tests
[tool:pytest]
addopts = --doctest-modules
testpaths = tests