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1. padelpy padelpy Public

   Python API for PaDEL-Descriptor molecular descriptor and fingerprint calculation

   Python 232 39

2. graphchem graphchem Public

   Molecular graph neural networks for predicting chemical properties, with a focus on fuels

   Python 34 7

3. ecnet ecnet Public

   QSPR-based PyTorch models for fuel property prediction, with bundled datasets and analytical blend rules

   Python 19 7

4. ecabc ecabc Public

   Artificial bee colony optimizer for user-defined parametric fitness functions

   Python 11 7