package fasmifra
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Molecular Generation by Fast Assembly of SMILES Fragments
Install
Dune Dependency
Authors
Maintainers
Sources
v2.1.0.tar.gz
sha256=ea3c1a2566069096ede8ee4720dbea3261f797a1002c2557f3dd7ec30e6a45ce
Description
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
Published: 28 Mar 2025
Dependencies (9)
-
conf-python-3
>= "1.0.0" -
conf-rdkit
>= "1" -
line_oriented
>= "1.2.0" -
ocaml
>= "5.0.0" -
minicli
>= "5.0.0" -
dune
>= "1.11" -
dolog
>= "6.0.0" -
batteries
>= "3.3.0" - base-unix
Dev Dependencies
None
Used by
None
Conflicts
None
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