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  1. mol_ga mol_ga Public

    Simple, lightweight package for genetic algorithms on molecules

    Python 44 3

  2. microsoft/syntheseus microsoft/syntheseus Public

    Package for Retrosynthetic Planning

    Python 115 15

  3. dockstring/dockstring dockstring/dockstring Public

    A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.

    Python 157 30

  4. tanimoto-random-features-neurips23 tanimoto-random-features-neurips23 Public

    Official code to accompany the NeurIPS 2023 paper "Tanimoto Random Features for Scalable Molecular Machine Learning"

    Python

  5. book-summaries book-summaries Public

    Summaries of books I have read

    2 1

  6. linux-setup linux-setup Public

    Shell scripts to set up a new Linux computer the way I like it.

    Shell