Repositories list

• simstack

  Public
  HTML

  •

  MIT License

  •00 forks•33 stars•1919 issues•88 pull requests•Updated Aug 13, 2026Aug 13, 2026

• molecular_qm_orca

  Public
  Scripts to run ORCA in Simstack

  Python

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  MIT License

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

• molecular_qm_util

  Public
  Utilities for molecular electronic structure calculations with Simstack

  Python

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  MIT License

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

• xtalgen

  Public
  TB2J magnetic exchange SimStack capability (package tbj2)

  Python

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

• molecular_qm_models

  Public
  Definitions of base classes for molecular electronic structure calculations in simstack

  Python

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  MIT License

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

• molecular_dynamics_gromacs

  Public
  Python

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  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 3, 2026Aug 3, 2026

• simstack-onboarding

  Public
  Repo for the onboarding and introduction to Simstack II

  Python

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  MIT License

  •00 forks•00 stars•1010 issues•00 pull requests•Updated Jul 3, 2026Jul 3, 2026

• simstack-examples

  Public
  Examples and Initial Runner Tests for Simstack II

  MIT License

  •00 forks•00 stars•22 issues•00 pull requests•Updated Nov 17, 2025Nov 17, 2025

• Simstack-Documentation

  Public
  Dockerfile

  •66 forks•00 stars•55 issues•11 pull request•Updated Nov 12, 2025Nov 12, 2025

• workflowscommunity.github.io

  Public
  Source code for the https://workflows.community website

  CSS

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  GNU General Public License v3.0

  •4747 forks•00 stars•00 issues•00 pull requests•Updated Nov 17, 2023Nov 17, 2023