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    • simstack

      Public
      HTML
      MIT License
      02188Updated Jul 24, 2026Jul 24, 2026
    • Definitions of base classes for molecular electronic structure calculations in simstack
      Python
      MIT License
      0000Updated Jul 24, 2026Jul 24, 2026
    • Scripts to run ORCA in Simstack
      Python
      MIT License
      0000Updated Jul 13, 2026Jul 13, 2026
    • Utilities for molecular electronic structure calculations with Simstack
      Python
      MIT License
      0000Updated Jul 13, 2026Jul 13, 2026
    • Repo for the onboarding and introduction to Simstack II
      Python
      MIT License
      00100Updated Jul 3, 2026Jul 3, 2026
    • Examples and Initial Runner Tests for Simstack II
      MIT License
      0020Updated Nov 17, 2025Nov 17, 2025
    • Dockerfile
      6051Updated Nov 12, 2025Nov 12, 2025
    • Source code for the https://workflows.community website
      CSS
      GNU General Public License v3.0
      46000Updated Nov 17, 2023Nov 17, 2023
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