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  1. TacoGFN-SBDD TacoGFN-SBDD Public

    [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design (also Spotlighted in NeurIPS GenBio Workshop 2023)

    Python 8 1

  2. 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 10 3

  3. georgian-io-archive/hydra georgian-io-archive/hydra Public archive

    A cloud-agnostic ML Platform that will enable Data Scientists to run multiple experiments, perform hyper parameter optimization, evaluate results and serve models (batch/realtime) while still maint…

    HCL 43 4