Metadata-Version: 2.1
Name: grape-chem
Version: 1.0
Summary: Tools for computational chemistry and deep learning.
Home-page: https://github.com/aerte/GraPE
Author: Felix Ærtebjerg
Requires-Dist: torch==2.1.0
Requires-Dist: torch_geometric>=2.1
Requires-Dist: torch-scatter==2.1.2
Requires-Dist: rdkit~=2023.9.5
Requires-Dist: dgl~=2.0.0
Requires-Dist: pandas~=2.2.0
Requires-Dist: numpy~=1.26.3
Requires-Dist: pyarrow
Requires-Dist: openpyxl
Requires-Dist: dgllife~=0.3.2
Requires-Dist: matplotlib~=3.8.3
Requires-Dist: seaborn~=0.13.2
Requires-Dist: CIRpy~=1.0.2
Requires-Dist: tqdm~=4.66.1
Requires-Dist: scikit-learn
