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Merge pull request #22906 from UnixJunkie/acpc_200
new file: packages/acpc/acpc.2.0.0/opam
authored by
Marcello Seri
and committed by
GitHub
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packages/acpc/acpc.2.0.0/opam
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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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}