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  1. OpenMM2gmx OpenMM2gmx Public

    OpenMM to GROMACS trajectory preparation pipeline. It works for any system and has been tested on membrane proteins with triclinic box geometry. It handles PBC, centering, stripping, and preserves …

    Python 1

  2. af2_analysis af2_analysis Public

    Forked from samuelmurail/af_analysis

    Analysis of alphafold and colabfold results

    Jupyter Notebook

  3. SST2 SST2 Public

    Forked from samuelmurail/SST2

    SST2 implementation in openmm

    Jupyter Notebook

  4. gamd-openmm gamd-openmm Public

    Forked from MiaoLab20/gamd-openmm

    Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost p…

    Python