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@atomsforhumanity Atoms for Humanity

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    6 repositories

    • qccodec

      Public
      A library for parsing quantum chemistry program output files into structured qcio data objects.
      Python
      •
      MIT License
      •5•7•3•0•Updated Aug 29, 2026Aug 29, 2026

    • atomsforhumanity.org

      Public
      Website for atomsforhumanity.org
      Astro
      •0•0•0•0•Updated Aug 29, 2026Aug 29, 2026

    • qcinf

      Public
      Cheminformatics algorithms and structure utilities using standardized qcio data structures.
      Python
      •0•0•1•0•Updated Aug 26, 2026Aug 26, 2026

    • qcconst

      Public
      Physical constants and a user-friendly Periodic Table.
      Python
      •
      MIT License
      •1•3•0•0•Updated Aug 26, 2026Aug 26, 2026

    • qccompute

      Public
      A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTR…
      Python
      •
      MIT License
      •4•6•10•0•Updated Aug 26, 2026Aug 26, 2026

    • qcdata

      Public
      A package for structured Quantum Chemistry data.
      Python
      •
      MIT License
      •4•5•17•0•Updated Aug 26, 2026Aug 26, 2026
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