commit e6ed727333aa8b77c3317b32aa928f5ea8f1d54a · anil.recoil.org/opam-repository

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packages/acpc/acpc.2.0.0/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/ACPC"

     

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

     

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       license: "BSD-3-Clause"

     

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

     

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

     

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       depends: [

     

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         "base-unix"

     

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         "batteries"

     

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         "bitv"

     

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         "conf-autoconf"

     

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         "conf-gnuplot"

     

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         "dolog"

     

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         "dune" {>= "1.11"}

     

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         "ocaml" {>= "5.0.0"}

     

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         "parany" {>= "11"}

     

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         "vector3"

     

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       ]

     

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       synopsis: "Chemoinformatics tool for ligand-based virtual screening"

     

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       description: """

     

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       AutoCorrelation of Partial Charges (ACPC)

     

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       Bibliography

     

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

     

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       Berenger, F., Voet, A., Lee, X. Y., & Zhang, K. Y. (2014).

     

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       A Rotation-Translation Invariant Molecular Descriptor of Partial Charges

     

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       and its Use in Ligand-Based Virtual Screening.

     

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       Journal of Cheminformatics, 6(1), 1-12.

     

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       https://doi.org/10.1186/1758-2946-6-23

     

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       """

     

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       url {

     

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         src: "https://github.com/UnixJunkie/ACPC/archive/refs/tags/v2.0.0.tar.gz"

     

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         checksum: "md5=a3a716d3fee8e5a34af24ec945686870"

     

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       }