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@MolSSI-MDI

MolSSI MDI

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  1. MDI_Library MDI_Library Public

    A library that enables code interoperability via the MolSSI Driver Interface.

    C 33 11

  2. Tinker Tinker Public

    Forked from TinkerTools/tinker

    Tinker: Software Tools for Molecular Design

    Fortran 3

  3. mdi-ani-workshop mdi-ani-workshop Public

    Python 2 2

  4. MDI_NEB_Driver MDI_NEB_Driver Public

    HTML 1

  5. MDI_OpenMM_Plugin MDI_OpenMM_Plugin Public

    OpenMM plugin that enables OpenMM to run as an MDI engine

    C++ 1

  6. MDI_Metadynamics MDI_Metadynamics Public

    A reference implementation of the Metadynamics method using MolSSI MDI

    HTML 1

Repositories

Showing 10 of 40 repositories
  • mopac Public Forked from openmopac/mopac

    Molecular Orbital PACkage

    MolSSI-MDI/mopac’s past year of commit activity
    Fortran 0 LGPL-3.0 32 0 0 Updated Oct 23, 2024
  • MDI_Library Public

    A library that enables code interoperability via the MolSSI Driver Interface.

    MolSSI-MDI/MDI_Library’s past year of commit activity
    C 33 BSD-3-Clause 11 10 2 Updated Oct 22, 2024
  • tinker9 Public Forked from TinkerTools/tinker9

    Tinker9: Next Generation of Tinker with GPU Support

    MolSSI-MDI/tinker9’s past year of commit activity
    C++ 0 28 0 0 Updated Oct 17, 2024
  • MDI_Tinker9 Public
    MolSSI-MDI/MDI_Tinker9’s past year of commit activity
    Python 0 BSD-3-Clause 1 0 0 Updated Oct 17, 2024
  • MDI_Mechanic Public
    MolSSI-MDI/MDI_Mechanic’s past year of commit activity
    Python 0 BSD-3-Clause 4 0 0 Updated Oct 7, 2024
  • MDI_psi4 Public
    MolSSI-MDI/MDI_psi4’s past year of commit activity
    Dockerfile 0 BSD-3-Clause 0 0 0 Updated Aug 28, 2024
  • Tinker Public Forked from TinkerTools/tinker

    Tinker: Software Tools for Molecular Design

    MolSSI-MDI/Tinker’s past year of commit activity
    Fortran 3 62 0 0 Updated Aug 17, 2024
  • MDI_Driver_Cookiecutter Public

    Cookiecutter for creating MDI Drivers

    MolSSI-MDI/MDI_Driver_Cookiecutter’s past year of commit activity
    Python 0 BSD-3-Clause 1 1 0 Updated Jun 11, 2024
  • mdi-ani-workshop Public
    MolSSI-MDI/mdi-ani-workshop’s past year of commit activity
    Python 2 2 0 0 Updated May 16, 2024
  • ani-driver-tutorial Public

    Sphinx tutorial for SETCA 2024

    MolSSI-MDI/ani-driver-tutorial’s past year of commit activity
    Python 0 1 0 0 Updated May 16, 2024
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