Repositories list

• seamm_packaging

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

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 14, 2026Aug 14, 2026

• seamm_webui

  Public
  SPA-based web dashboard for SEAMM (FastAPI + React/Vite), built alongside seamm_dashboard

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•00 stars•00 issues•00 pull requests•Updated Aug 13, 2026Aug 13, 2026

• seamm_jobserver

  Public
  The JobServer for the SEAMM environment.

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  GNU Lesser General Public License v3.0

  •11 fork•00 stars•00 issues•00 pull requests•Updated Aug 13, 2026Aug 13, 2026

• seamm_slurm

  Public
  A library for handling SEAMM jobs using SLURM

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 13, 2026Aug 13, 2026

• seamm

  Public
  The core of the SEAMM environment and graphical interface.

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  GNU Lesser General Public License v3.0

  •22 forks•1717 stars•00 issues•00 pull requests•Updated Aug 12, 2026Aug 12, 2026

• orca_step

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

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 12, 2026Aug 12, 2026

• seamm_dashboard_client

  Public
  A client for the RESTful API of the SEAMM Dashboard

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 11, 2026Aug 11, 2026

• seamm_installer

  Public
  The installer/updater for MolSSI SEAMM

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •22 forks•00 stars•00 issues•00 pull requests•Updated Aug 10, 2026Aug 10, 2026

• seamm_exec

  Public
  Classes to execute background codes for SEAMM

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 8, 2026Aug 8, 2026

• seamm_bsse

  Public
  A library for the common code for n-body BSSE calculations

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 7, 2026Aug 7, 2026

• atomic_charges_step

  Public
  A SEAMM plug-in for calculation atomic charges using DDEC6, Bader, etc.

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•11 issue•00 pull requests•Updated Aug 7, 2026Aug 7, 2026

• psi4_step

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

  computational-chemistrypsi4computational-materials-science+ 2

  computational-chemistrypsi4computational-materials-sciencemolssimolssi-seamm

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•55 stars•11 issue•00 pull requests•Updated Aug 7, 2026Aug 7, 2026

• seamm_datastore

  Public
  Database models for the seamm data store

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•11 star•11 issue•00 pull requests•Updated Aug 2, 2026Aug 2, 2026

• model_chemistry_step

  Public
  A SEAMM step for setting the model chemistry for subsequent steps.

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 31, 2026Jul 31, 2026

• seamm_thermochemistry

  Public
  A SEAMM core package for handling thermochemistry for the quantum codes

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 31, 2026Jul 31, 2026

• gaussian_step

  Public
  A SEAMM plug-in for the Gaussian quantum chemistry program

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•11 star•11 issue•00 pull requests•Updated Jul 28, 2026Jul 28, 2026

• vasp-step

  Public
  A SEAMM plug-in for the VASP plane wave DFT code

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•11 star•11 issue•00 pull requests•Updated Jul 28, 2026Jul 28, 2026

• golden_step

  Public
  A SEAMM plugin for golden testing of flowcharts against a known baseline result

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 28, 2026Jul 28, 2026

• control_parameters_step

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

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•00 stars•00 issues•00 pull requests•Updated Jul 28, 2026Jul 28, 2026

• seamm_mdi

  Public
  A SEAMM core package for handling MDI enabled calculations

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 28, 2026Jul 28, 2026

• dimer_builder_step

  Public
  A SEAMM plug-in for building dimers and generating structures scanning the angular and distance space

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 27, 2026Jul 27, 2026

• mopac_step

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

  computational-chemistrymopaccomputational-materials-science+ 2

  computational-chemistrymopaccomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •22 forks•33 stars•44 issues•00 pull requests•Updated Jul 27, 2026Jul 27, 2026

• seamm_util

  Public
  Utility classes and functions that support other MolSSI tools

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  Other

  •11 fork•11 star•11 issue•00 pull requests•Updated Jul 26, 2026Jul 26, 2026

• cms_plots

  Public
  Tools for generating plots for computational materials/molecular science

  Python

  •

  GNU Lesser General Public License v2.1

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 21, 2026Jul 21, 2026

• devops

  Public
  Tools for building, testing, and deploying SEAMM

  Makefile

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•11 star•00 issues•00 pull requests•Updated Jul 21, 2026Jul 21, 2026

• normal_mode_sampling_step

  Public
  A SEAMM plug-in for sampling structures using the normal modes

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 16, 2026Jul 16, 2026

• read_structure_step

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

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•00 stars•44 issues•00 pull requests•Updated Jul 13, 2026Jul 13, 2026

• molssi-seamm.github.io

  Public
  Web pages for SEAMM

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Makefile

  •

  GNU General Public License v3.0

  •33 forks•00 stars•00 issues•00 pull requests•Updated Jul 9, 2026Jul 9, 2026

• molsystem

  Public
  Molsystem provides a general class for handling molecular and periodic systems

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  GNU Lesser General Public License v3.0

  •33 forks•55 stars•33 issues•00 pull requests•Updated Jun 30, 2026Jun 30, 2026

• seamm_widgets

  Public
  Custom widgets to support the MolSSI Framework

  computational-chemistrycomputational-materials-sciencemolssi+ 1

  computational-chemistrycomputational-materials-sciencemolssimolssi-seamm

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •22 forks•22 stars•00 issues•00 pull requests•Updated Jun 29, 2026Jun 29, 2026