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    • SCSS
      0100Updated Mar 27, 2026Mar 27, 2026
    • Python
      MIT License
      0400Updated Feb 12, 2024Feb 12, 2024
    • manifold

      Public
      A minimalistic python interface for the Postera Manifold API
      Python
      MIT License
      0100Updated Nov 2, 2023Nov 2, 2023
    • smi2sdf

      Public
      Conversion of SMILES to SDF files through RDKit
      Python
      MIT License
      6400Updated Jun 15, 2022Jun 15, 2022
    • Table for quick energy conversion
      0200Updated May 31, 2022May 31, 2022
    • Python interface for the molecule.one chemical synthesis api
      Python
      MIT License
      1200Updated Dec 14, 2020Dec 14, 2020
    • Locate TS based on RMSD-PP method
      Python
      MIT License
      3300Updated Jul 8, 2020Jul 8, 2020
    • spectre

      Public
      SPECTRE is a tool to compute optical properties of molecules in any homo- or heterogenous environment.
      Python
      MIT License
      1330Updated Jun 15, 2020Jun 15, 2020
    • pepytools

      Public
      Python
      Other
      1430Updated Oct 24, 2019Oct 24, 2019
    • molecool

      Public
      molecool: too cool for molecule
      Python
      MIT License
      1200Updated Oct 9, 2019Oct 9, 2019
    • Trimmed version of the polarizable embedding assistant script
      MIT License
      0000Updated Sep 7, 2017Sep 7, 2017
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