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  1. guacamol guacamol Public

    Benchmarks for generative chemistry

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  2. DeeplyTough DeeplyTough Public

    DeeplyTough: Learning Structural Comparison of Protein Binding Sites

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  3. guacamol_baselines guacamol_baselines Public

    Baselines models for GuacaMol benchmarks

    Python 139 37

  4. MolBERT MolBERT Public

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  5. RELVM RELVM Public

    This repository contains the code accompanying the paper "Learning Informative Representations of Biomedical Relations with Latent Variable Models", Harshil Shah and Julien Fauqueur, EMNLP SustaiNL…

    Python 14 3

  6. CoMP CoMP Public

    CoMP: Contrastive Mixture of Posteriors

    Python 10 1

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