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MGCVAE Public
Forked from mhlee216/MGCVAECode for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://pubs.acs.org/doi/10.1021/acs.jcim.2c00487)
Jupyter Notebook UpdatedSep 6, 2022 -
Active-Learning-For-Drug-Discovery Public
Forked from AntoninDuval/Active-Learning-For-Drug-DiscoveryImplementation of an active learning strategy for screening a large dataset of molecules.
Jupyter Notebook UpdatedJun 28, 2021