commit dabc6e3b0542d5b2ec8980ea98a74f9101a0d433 · anil.recoil.org/opam-repository

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packages/fasmifra/fasmifra.2.1.0/opam
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       opam-version: "2.0"

     

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       authors: "Francois Berenger"

     

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       maintainer: "unixjunkie@sdf.org"

     

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       homepage: "https://github.com/UnixJunkie/FASMIFRA"

     

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       bug-reports: "https://github.com/UnixJunkie/FASMIFRA/issues"

     

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       dev-repo: "git+https://github.com/UnixJunkie/FASMIFRA.git"

     

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       license: "GPL-3.0-or-later"

     

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       build: ["dune" "build" "-p" name "-j" jobs]

     

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       install: [

     

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         ["cp" "bin/fasmifra_fragment.py"     "%{bin}%/fasmifra_fragment.py"]

     

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         ["cp" "bin/fasmifra_rm_cut_bonds.sh" "%{bin}%/fasmifra_rm_cut_bonds.sh"]

     

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         ["cp" "bin/fasmifra_frag_dict.py"    "%{bin}%/fasmifra_frag_dict.py"]

     

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         ["cp" "bin/fasmifra_GA.sh"           "%{bin}%/fasmifra_GA.sh"]

     

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       ]

     

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       depends: [

     

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         "base-unix"

     

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         "batteries" {>= "3.3.0"}

     

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         "dolog" {>= "6.0.0"}

     

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         "dune" {>= "1.11"}

     

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         "minicli" {>= "5.0.0"}

     

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         "ocaml" {>= "5.0.0"}

     

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         "line_oriented" {>= "1.2.0"}

     

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         "conf-rdkit" {>= "1"}

     

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         "conf-python-3" {>= "1.0.0"}

     

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       ]

     

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       synopsis: "Molecular Generation by Fast Assembly of SMILES Fragments"

     

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       description: """

     

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       Generate molecules fast given a molecular training set.

     

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       Properties of the generated molecules might significantly match

     

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       those of the training set (training set distribution matching).

     

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       Bibliography:

     

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       =============

     

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       Berenger, F., & Tsuda, K. (2021).

     

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       Molecular generation by Fast Assembly of (Deep) SMILES fragments.

     

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       Journal of Cheminformatics, 13(1), 1-10.

     

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       https://doi.org/10.1186/s13321-021-00566-4

     

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       """

     

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       url {

     

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         src:

     

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           "https://github.com/UnixJunkie/FASMIFRA/archive/refs/tags/v2.1.0.tar.gz"

     

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         checksum: [

     

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           "sha256=ea3c1a2566069096ede8ee4720dbea3261f797a1002c2557f3dd7ec30e6a45ce"

     

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         ]

     

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       }