package fasmifra
Molecular Generation by Fast Assembly of SMILES Fragments
Install
Authors
Maintainers
Sources
v1.1.0.tar.gz
md5=d12b87ec8a1a361ef4d9fa1c23615869
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).
Reference implementation for a submitted manuscript.
Published: 02 Sep 2021
Dependencies (10)
-
conf-python-3
>= "1.0.0"
-
conf-rdkit
>= "1"
-
line_oriented
>= "1.0.0"
-
parany
>= "12.0.0" & < "13.0.0"
- ocaml
-
minicli
>= "5.0.0"
-
dune
>= "1.11"
-
dolog
>= "6.0.0"
-
batteries
>= "3.3.0"
- base-unix
Dev Dependencies
Used by
Conflicts
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