commit 22a90e10d87808345a5b7230cc3649be2c54daba · anil.recoil.org/opam-repository

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packages/lbvs_consent/lbvs_consent.2.1.2/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/consent"

     

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

     

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

     

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       license: "GPL"

     

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       build: [

     

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         [make "obmaccs"]

     

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

     

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       ]

     

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       install: [

     

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         ["cp" "bin/lbvs_consent_ecfp4.py" "%{bin}%/lbvs_consent_ecfp4.py"]

     

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         ["cp" "src/lbvs_consent_ob_maccs" "%{bin}%/lbvs_consent_ob_maccs"]

     

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       ]

     

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       depends: [

     

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         "dune" {>= "1.6"}

     

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         "batteries"

     

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         "bitv" {>= "1.2"}

     

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         "parmap"

     

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         "dolog" {>= "4.0.0"}

     

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         "camlzip"

     

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         "qcheck"

     

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         "minivpt"

     

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         "cpm"

     

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         "dokeysto_camltc"

     

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         "minicli" {>= "5.0.0"}

     

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         "conf-boost"

     

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         "conf-openbabel"

     

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         "conf-python-3"

     

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         "conf-rdkit"

     

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       ]

     

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       synopsis: "Chemoinformatics software for consensus fingerprint queries"

     

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       description: """

     

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       Chemoinformatics software to do similarity searches using consensus

     

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       fingerprint queries.

     

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       For more details, see the README on github:

     

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       https://github.com/UnixJunkie/consent

     

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       Please cite the corresponding paper in case you use this software

     

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       and publish about your results:

     

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       @article{Berenger2017,

     

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         title={Consensus queries in ligand-based virtual screening experiments},

     

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         author={Berenger, Francois and Vu, Oanh and Meiler, Jens},

     

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         journal={Journal of Cheminformatics},

     

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         volume={9},

     

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         number={1},

     

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         pages={60},

     

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         year={2017},

     

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         publisher={BioMed Central},

     

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         doi={10.1186/s13321-017-0248-5},

     

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       }

     

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       """

     

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       url {

     

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         src: "https://github.com/UnixJunkie/consent/archive/v2.1.2.tar.gz"

     

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         checksum: "md5=c5781fa8303fba1a661c03ded74cc87b"

     

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       }

     

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