fasmifraversion

Molecular Generation by Fast Assembly of SMILES Fragments

Generate molecules fast given a molecular training set.

Properties of the generated molecules might significantly match those of the training set (training set distribution matching).

Bibliography:

Berenger, F., & Tsuda, K. (2021). Molecular generation by Fast Assembly of (Deep) SMILES fragments. Journal of Cheminformatics, 13(1), 1-10. https://doi.org/10.1186/s13321-021-00566-4

AuthorFrancois Berenger
LicenseGPL-3.0-or-later
Published
Homepagehttps://github.com/UnixJunkie/FASMIFRA
Issue Trackerhttps://github.com/UnixJunkie/FASMIFRA/issues
Maintainerunixjunkie@sdf.org
Dependencies
Source [http] https://github.com/UnixJunkie/FASMIFRA/archive/refs/tags/v2.1.0.tar.gz
sha256=ea3c1a2566069096ede8ee4720dbea3261f797a1002c2557f3dd7ec30e6a45ce
Edithttps://github.com/ocaml/opam-repository/tree/master/packages/fasmifra/fasmifra.2.1.0/opam
No package is dependent