Metadata-Version: 2.4
Name: pydentate
Version: 1.1.3
Summary: Graph Neural Networks for Predicting Metal-Ligand Coordination in Transition Metal Complexes
Author: Jacob Toney
Author-email: jwt@mit.edu
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10, <3.13
License-File: LICENSE
Requires-Dist: pandas>=1.5.3
Requires-Dist: numpy>=1.24.1
Requires-Dist: torch>=2.1.0
Requires-Dist: rdkit>=2023.3.3
Requires-Dist: tqdm>=4.66.1
Requires-Dist: jupyter>=1.1.1
Requires-Dist: pip>=22.3.1
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
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Graph Neural Networks for Predicting Metal-Ligand Coordination in Transition Metal Complexes
