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1. MGCVAE MGCVAE Public

   Forked from mhlee216/MGCVAE

   Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://pubs.acs.org/doi/10.1021/acs.jcim.2c00487)

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2. Active-Learning-For-Drug-Discovery Active-Learning-For-Drug-Discovery Public

   Forked from AntoninDuval/Active-Learning-For-Drug-Discovery

   Implementation of an active learning strategy for screening a large dataset of molecules.

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