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  1. Sire Sire Public

    Sire Molecular Simulations Framework

    C++ 94 26

  2. BioSimSpace BioSimSpace Public

    Code and resources for the EPSRC BioSimSpace project.

    Python 76 19

  3. BioSimSpaceTutorials BioSimSpaceTutorials Public

    26 11

  4. a3fe a3fe Public

    Automated Adaptive Absolute alchemical Free Energy calculator

    Python 26 3

  5. freenrgworkflows freenrgworkflows Public

    Software for automated processing of alchemical free energy calculations

    Python 8 6

  6. bssccpbiosim2022 bssccpbiosim2022 Public

    Material for the BioSimSpace workshop at the upcoming 2022 CCPBioSim Training Week

    Jupyter Notebook 8 3

Repositories

Showing 10 of 85 repositories
  • a3fe Public

    Automated Adaptive Absolute alchemical Free Energy calculator

    michellab/a3fe’s past year of commit activity
    Python 26 GPL-3.0 3 0 0 Updated Jun 30, 2024
  • EspalomaFFComparison Public
    michellab/EspalomaFFComparison’s past year of commit activity
    Jupyter Notebook 0 0 1 0 Updated Jun 27, 2024
  • Automated-ABFE-Paper Public

    Inputs and code to reproduce the results and analysis from "Automated Adaptive Absolute Binding Free Energy Calculations"

    michellab/Automated-ABFE-Paper’s past year of commit activity
    Jupyter Notebook 2 GPL-3.0 0 0 0 Updated Jun 20, 2024
  • AMMo Public
    michellab/AMMo’s past year of commit activity
    Python 5 Apache-2.0 1 0 0 Updated May 23, 2024
  • RBFE-Benchmark Public
    michellab/RBFE-Benchmark’s past year of commit activity
    Python 0 0 0 0 Updated May 21, 2024
  • RNA_AFE Public

    RNA AFE analysis for BSc Project

    michellab/RNA_AFE’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 22, 2024
  • BioSimSpace Public

    Code and resources for the EPSRC BioSimSpace project.

    michellab/BioSimSpace’s past year of commit activity
    Python 76 GPL-3.0 19 24 (2 issues need help) 0 Updated Mar 5, 2024
  • MDM2-D2O-paper Public

    Conformational ensembles from the MDM2 disorder-to-order mutants study

    michellab/MDM2-D2O-paper’s past year of commit activity
    1 MIT 0 0 0 Updated Feb 24, 2024
  • BioSimSpaceTutorials Public
    michellab/BioSimSpaceTutorials’s past year of commit activity
    26 11 0 0 Updated Jan 16, 2024
  • ccgbsa Public

    Simulations of coiled coils with OpenMM

    michellab/ccgbsa’s past year of commit activity
    Jupyter Notebook 6 GPL-3.0 0 0 0 Updated Dec 18, 2023
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