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MGCVAE
MGCVAE PublicForked 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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Active-Learning-For-Drug-Discovery
Active-Learning-For-Drug-Discovery PublicForked from AntoninDuval/Active-Learning-For-Drug-Discovery
Implementation of an active learning strategy for screening a large dataset of molecules.
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