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  1. virtual_libraries virtual_libraries Public

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    Supporting code for the paper «Generative molecular design in low data regimes»

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  2. BIMODAL BIMODAL Public

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    Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).

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  3. dragonfly_gen dragonfly_gen Public

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  4. molecular_design_with_beam_search molecular_design_with_beam_search Public

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  5. lsfml lsfml Public

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  6. de_novo_design_RNN de_novo_design_RNN Public

    Forked from grisoniFr/de_novo_design_RNN

    Code for "De novo molecular design with chemical language models"

    Jupyter Notebook 17 4