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Author:
None
License:
MIT License
Copyright (c) 2023-2025 Kai Hodžić
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associat...
Summary:
ChemLogic is a neurosymbolic framework that integrates relational logic syntax with various graph neural network (GNN) architectures to model chemical knowledge. It encodes functional groups and molecular subgraph patterns into a differentiable, explainable architecture, enabling the construction of interpretable and modular GNN-based models for chemical reasoning.
Latest version:
0.1.2
Required dependencies:
mlflow
|
neuralogic
|
optuna
|
pysmiles
|
rdkit
|
scikit-learn
|
torch
|
torch-geometric
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