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Author:
Kai Hodzic
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:
0.1.3
Required dependencies:
neuralogic
|
pandas
|
pydantic
|
pysmiles
|
rdkit
|
safetensors
|
scikit-learn
|
torch
|
torch-geometric
Optional dependencies:
chemlogic
|
mlflow
|
optuna
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