General Tools

  • Chemaxon: numerous tools for small molecules (standalone).

  • DataWarrior: numerous tools (standalone).

  • Datagrok Cheminformatics: Cheminformatics functions in Datagrok

  • LillyMol: Eli Lilly set of cheminformatic tools (standalone)
    Code Last Commit

  • MayaChemTools: Cheminformatics tool kit. A growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs (standalone)
    Code