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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 88 repositories
  • orca_step Public

    A SEAMM plug-in for ORCA (accurate molecular QM, incl. DLPNO-CCSD(T))

    molssi-seamm/orca_step's past year of commit activity
    Python 0 BSD-3-Clause 0 2 0 Updated Nov 8, 2026
  • seamm_manager Public

    The manager for installing and updating the SEAMM environment

    molssi-seamm/seamm_manager's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Nov 8, 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 0 0 Updated Nov 8, 2026
  • interaction_eda_step Public

    A SEAMM plug-in for energy decomposition analysis (EDA) of intermolecular interactions

    molssi-seamm/interaction_eda_step's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Nov 8, 2026
  • 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 8, 2026
  • 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 Nov 7, 2026
  • molssi-seamm.github.io Public

    Web pages for SEAMM

    molssi-seamm/molssi-seamm.github.io's past year of commit activity
    Makefile 0 GPL-3.0 3 0 0 Updated Nov 7, 2026
  • custom_step Public

    A step in the workflow for custom Python code

    molssi-seamm/custom_step's past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Nov 6, 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 Nov 6, 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 Nov 6, 2026
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