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1. kfold kfold Public

   Official repository for K-Fold biomolecular structure prediction

   Python 14 1

2. atlasfold atlasfold Public

   Trainable protein folding and co-folding models with a protein language model.

   Python 6

3. RxnFlow RxnFlow Public

   Synthesis-oriented molecular design "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)

   Python 40 10

4. PharmacoNet PharmacoNet Public

   Official repository for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)

   Python 103 11

5. tsa87/cgflow tsa87/cgflow Public

   [ICML 25'] Compositional Flows for 3D Molecule and Synthesis Pathway Co-design

   Jupyter Notebook 19 3

6. BBAR BBAR Public

   Official repository for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)

   Jupyter Notebook 36 5