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virtual_libraries
virtual_libraries PublicForked from michael1788/virtual_libraries
Supporting code for the paper «Generative molecular design in low data regimes»
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BIMODAL
BIMODAL PublicForked from robinlingwood/BIMODAL
Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
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molecular_design_with_beam_search
molecular_design_with_beam_search PublicForked from michael1788/molecular_design_with_beam_search
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de_novo_design_RNN
de_novo_design_RNN PublicForked from grisoniFr/de_novo_design_RNN
Code for "De novo molecular design with chemical language models"
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molgrad
molgrad PublicForked from josejimenezluna/molgrad
Coloring molecules with explainable artificial intelligence
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lsfml
lsfml PublicForked from atzkenneth/lsfml
Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
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