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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_packaging Public

    Tools to create the SEAMM package as Conda environments and as Docker images

    molssi-seamm/seamm_packaging's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Nov 2, 2026
  • read_structure_step Public

    A SEAMM plug-in to read and write common formats in computational chemistry

    molssi-seamm/read_structure_step's past year of commit activity
    Python 0 BSD-3-Clause 1 4 (1 issue needs help) 0 Updated Nov 1, 2026
  • molsystem Public

    Molsystem provides a general class for handling molecular and periodic systems

    molssi-seamm/molsystem's past year of commit activity
    Python 5 LGPL-3.0 3 3 0 Updated Oct 31, 2026
  • seamm_thermochemistry Public

    A SEAMM core package for handling thermochemistry for the quantum codes

    molssi-seamm/seamm_thermochemistry's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Oct 31, 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 31, 2026
  • seamm_dashboard Public archive

    DEPRECATED (October 2026): the old Flask web dashboard for SEAMM. Replaced by seamm-webui (the SEAMM WebUI); not installed or packaged any more.

    molssi-seamm/seamm_dashboard's past year of commit activity
    HTML 3 BSD-3-Clause 3 8 0 Updated Oct 31, 2026
  • seamm_dashboard_client Public

    A client for the RESTful API of the SEAMM Dashboard

    molssi-seamm/seamm_dashboard_client's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Oct 30, 2026
  • control_parameters_step Public

    A plug-in for control parameters, e.g. command line arguments, for SEAMM

    molssi-seamm/control_parameters_step's past year of commit activity
    Python 0 BSD-3-Clause 1 0 0 Updated Oct 30, 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 30, 2026
  • seamm_util Public

    Utility classes and functions that support other MolSSI tools

    molssi-seamm/seamm_util's past year of commit activity
    Python 1 1 1 0 Updated Oct 30, 2026
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