Pinned Loading

1. FFiNet FFiNet Public

   Force field-inspired molecular representation learning model

   Python 18 3

2. TSTiNet TSTiNet Public

   A noval transition state theory - inspired neural network for the prediction of deep eutectic solvents (DES)

   Python 6 2

3. LineEvo LineEvo Public

   Official implementation of the article "Enhancing Molecular Representations via Graph Transformation Layers"

   Python 5 2

4. TProp TProp Public

   Python