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Bigginlab

Code from the Biggin Laboratory at the University of Oxford

Popular repositories

  1. OxCompBio OxCompBio Public

    Materials for the oxford computational biochemistry course including python

    Jupyter Notebook 33 18

  2. WaterDock-2.0 WaterDock-2.0 Public

    WaterDock-2.0 implementation with Akshay Sridhar

    Python 11 8

  3. ABFE_workflow ABFE_workflow Public

    This is a snakelike based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.

    Python 10 6

  4. WaterDock_pymol WaterDock_pymol Public

    pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)

    Python 8 7

  5. aescore aescore Public

    Forked from RMeli/aescore

    Learning Protein-Ligand Properties with Atomic Environment Vectors

    Python 8 8

  6. fragment-opt-abfe-benchmark fragment-opt-abfe-benchmark Public

    Forked from IAlibay/fragment-opt-abfe-benchmark

    Benchmark set for absolute binding free energy calculations of fragment optimisations

    Python 4 1

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