fasmifraversion Documentation on ocaml.org
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
| Author | Francois Berenger |
|---|---|
| License | GPL-3.0-or-later |
| Published | |
| Homepage | https://github.com/UnixJunkie/FASMIFRA |
| Issue Tracker | https://github.com/UnixJunkie/FASMIFRA/issues |
| Maintainer | unixjunkie@sdf.org |
| Dependencies |
|
| Source [http] | https://github.com/UnixJunkie/FASMIFRA/archive/refs/tags/v2.1.0.tar.gz sha256=ea3c1a2566069096ede8ee4720dbea3261f797a1002c2557f3dd7ec30e6a45ce |
| Edit | https://github.com/ocaml/opam-repository/tree/master/packages/fasmifra/fasmifra.2.1.0/opam |
No package is dependent
