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TacoGFN-SBDD
TacoGFN-SBDD PublicOfficial Github for TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design - Spotlighted in NeurIPS Generative AI and Biology Workshop 2023
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semi-jtvae
semi-jtvae PublicSemi-supervised implementation of Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation.
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georgian-io-archive/hydra
georgian-io-archive/hydra Public archiveA 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…
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