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Author:
Travis Kessler
License:
MIT
Summary:
Graph-based machine learning for chemical property prediction
Latest version:
2.3.4
Required dependencies:
numpy
|
rdkit
|
tomli
|
torch
|
torch-geometric
Optional dependencies:
build
|
furo
|
jupyter
|
matplotlib
|
pip-audit
|
pre-commit
|
pytest
|
pytest-cov
|
ruff
|
scikit-learn
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-copybutton
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