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Pinned

  1. ligpargen ligpargen Public archive

    A repository for tutorials and FAQ's about LigParGen

    Python 20 17

  2. OPLS-AAM OPLS-AAM Public archive

    Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files

    Python 11 7

  3. OPLS-AAM_for_Gromacs OPLS-AAM_for_Gromacs Public archive

    Gromacs Implementation of OPLS-AAM Force field

    Python 12 5

  4. chain_joiner chain_joiner Public

    Forked from mc-robinson/chain_joiner

    Package to fix chain breaks in PDB files

    Python 1 3

  5. CM5-charges CM5-charges Public

    Data for the paper http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00414

    TeX

  6. DrugDiscoveryTechniques DrugDiscoveryTechniques Public