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    8 repositories

    • mopac

      Public
      Molecular Orbital PACkage
      Fortran
      •
      GNU Lesser General Public License v3.0
      •35•0•0•0•Updated Mar 26, 2024Mar 26, 2024

    • ketcher

      Public
      Web-based molecule sketcher
      TypeScript
      •
      Apache License 2.0
      •199•0•0•0•Updated Jan 12, 2024Jan 12, 2024

    • aizynthfinder

      Public
      A tool for retrosynthetic planning
      Python
      •
      MIT License
      •146•0•0•0•Updated Jan 11, 2024Jan 11, 2024

    • autodE

      Public
      automated reaction profile generation
      Python
      •
      MIT License
      •61•0•0•0•Updated Jan 4, 2024Jan 4, 2024

    • openbabel

      Public
      Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
      C++
      •
      GNU General Public License v2.0
      •439•0•0•0•Updated Dec 31, 2023Dec 31, 2023

    • timekeeper

      Public
      Modified HTML5 and JavaScript based timer with notification chime for academic conference
      JavaScript
      •
      MIT License
      •59•0•0•0•Updated Nov 28, 2023Nov 28, 2023

    • pgchem_tigress

      Public
      Pgchem::tigress is the chemoinformatics extension to the PostgreSQL DBMS. It enables PostgreSQL to handle molecules through SQL statements.
      C
      •4•0•0•0•Updated Jul 23, 2022Jul 23, 2022

    • openkinerator

      Public
      KINERATOR - Kinetic simulator for chemical reactions
      0•0•0•0•Updated Aug 20, 2020Aug 20, 2020
    0