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@molssi-seamm

MolSSI SEAMM

Simulation Environment for Atomistic and Molecular Modeling

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  1. seamm seamm Public

    The core of the SEAMM environment and graphical interface.

    Python 17 2

  2. seamm-cookiecutter seamm-cookiecutter Public

    A cookiecutter template for a plugin for SEAMM Flowcharts

    Python 2 1

  3. molsystem molsystem Public

    Molsystem provides a general class for handling molecular and periodic systems

    Python 5 3

  4. devops devops Public

    Tools for building, testing, and deploying SEAMM

    Makefile 1

Repositories

Showing 10 of 86 repositories
  • seamm_exec Public

    Classes to execute background codes for SEAMM

    molssi-seamm/seamm_exec's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Oct 24, 2026
  • seamm_scheduler Public
    molssi-seamm/seamm_scheduler's past year of commit activity
    Python 0 BSD-3-Clause 0 0 1 Updated Oct 24, 2026
  • loop_step Public

    A SEAMM plug-in which provides loops in flowcharts.

    molssi-seamm/loop_step's past year of commit activity
    Python 1 BSD-3-Clause 0 1 0 Updated Oct 24, 2026
  • seamm Public

    The core of the SEAMM environment and graphical interface.

    molssi-seamm/seamm's past year of commit activity
    Python 17 LGPL-3.0 2 0 0 Updated Oct 24, 2026
  • lammps_step Public

    A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.

    molssi-seamm/lammps_step's past year of commit activity
    Python 2 2 2 0 Updated Oct 24, 2026
  • fhi_aims_step Public

    A SEAMM plugin for running FHI-aims

    molssi-seamm/fhi_aims_step's past year of commit activity
    Python 3 BSD-3-Clause 1 1 0 Updated Oct 24, 2026
  • gaussian_step Public

    A SEAMM plug-in for the Gaussian quantum chemistry program

    molssi-seamm/gaussian_step's past year of commit activity
    Python 1 BSD-3-Clause 1 1 0 Updated Oct 24, 2026
  • psi4_step Public

    A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.

    molssi-seamm/psi4_step's past year of commit activity
    Python 5 BSD-3-Clause 1 1 0 Updated Oct 24, 2026
  • dftbplus_step Public

    A plug-in for DFTB+ in a SEAMM flowchart

    molssi-seamm/dftbplus_step's past year of commit activity
    Python 2 BSD-3-Clause 2 1 0 Updated Oct 24, 2026
  • mopac_step Public

    A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.

    molssi-seamm/mopac_step's past year of commit activity
    Python 3 BSD-3-Clause 2 4 0 Updated Oct 24, 2026
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