There are numerous tools outside and list of lists of hundreds of programs. This page covers only covers a very limited number of those tools I could use. This says nothing about the quality of many other packages.The main tools for molecule handling in our lab is the ChemAxon Marvin suite.


  • Marvin Space - MSpace (ChemAxon)
  • ArgusLab, VEGA
  • Mview (ChemAxon)
  • Instant-JChem (multiple molecules from SMILES, SDF, RDF)
  • BioClipse for spectra and molecules (CML)


Quantum Chemical packages

Swiss Army Knifes (Eeierlegende Wollmilchsau)