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  1. PIRATE PIRATE Public

    This is a repository for the code and methodology associated with the manuscript "PIRATE: Plundering AlphaFold Predictions to Automate Protein Engineering"

    Python 4 1

  2. FLAML FLAML Public

    Forked from microsoft/FLAML

    A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.

    Jupyter Notebook 1

  3. gnbr_nexus_comparison gnbr_nexus_comparison Public

    A large-scale evaluation of NLP derived chemical-proteins relationships (GNBR vs Nexus): code for the paper

    Python 1

  4. paccmann_predictor paccmann_predictor Public

    Forked from PaccMann/paccmann_predictor

    PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction

    Python

  5. TransVAE TransVAE Public

    Forked from oriondollar/TransVAE

    A Transformer Based VAE Architecture for De Novo Molecular Design

    Jupyter Notebook

  6. chemical_vae chemical_vae Public

    Forked from aspuru-guzik-group/chemical_vae

    Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

    Python

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