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1. cgflow cgflow Public

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

   Jupyter Notebook 10 1

2. tacogfn tacogfn Public

   [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design

   Python 13 2

3. semi-jtvae semi-jtvae Public

   Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23' DLG Workshop)

   Jupyter Notebook 12 3