Pinned Loading

1. molecule_feature_prediction molecule_feature_prediction Public

   The code is to transform molecules into features and do electron affinity(EA)/ionization energy(IE) prediction

   Jupyter Notebook 1 1

2. SSVAE-for-electrolyte-molecule-design SSVAE-for-electrolyte-molecule-design Public

   The repository includes the semi-supervised VAE model and the execution script for molecular generation

   Python 3 2

3. BFN_emb_smiles BFN_emb_smiles Public

   Using Bayesian Flow Networks (BFN) to generate molecular SMILES embedding

   Python

4. ZhiGroup/FDA ZhiGroup/FDA Public

   Folding-Docking-Affinity framework for protein-ligand affinity prediction

   Python 14 1