this repo has no description
anil.recoil.org
1opam-version: "2.0"
2authors: "Francois Berenger"
3maintainer: "unixjunkie@sdf.org"
4homepage: "https://github.com/UnixJunkie/ACPC"
5bug-reports: "https://github.com/UnixJunkie/ACPC/issues"
6license: "BSD-3-Clause"
7dev-repo: "git+https://github.com/UnixJunkie/ACPC.git"
8build: ["dune" "build" "-p" name "-j" jobs]
9depends: [
10 "base-unix"
11 "batteries"
12 "bitv"
13 "conf-autoconf"
14 "conf-gnuplot"
15 "dolog"
16 "dune" {>= "1.11"}
17 "ocaml" {>= "5.0.0"}
18 "parany" {>= "11"}
19 "vector3"
20]
21synopsis: "Chemoinformatics tool for ligand-based virtual screening"
22description: """
23AutoCorrelation of Partial Charges (ACPC)
24
25Bibliography
26============
27
28Berenger, F., Voet, A., Lee, X. Y., & Zhang, K. Y. (2014).
29A Rotation-Translation Invariant Molecular Descriptor of Partial Charges
30and its Use in Ligand-Based Virtual Screening.
31Journal of Cheminformatics, 6(1), 1-12.
32https://doi.org/10.1186/1758-2946-6-23
33"""
34url {
35 src: "https://github.com/UnixJunkie/ACPC/archive/refs/tags/v2.0.0.tar.gz"
36 checksum: [
37 "sha256=6ebf7622199a80df013db6349064c2e4336169b9230cf4ad11aa1308d408d481"
38 "md5=a3a716d3fee8e5a34af24ec945686870"
39 ]
40}