package lbvs_consent
Chemoinformatics software for Ligand-Based Virtual Screening (LBVS) using consensus fingerprint queries
Install
Dune Dependency
Authors
Maintainers
Sources
v2.0.1.tar.gz
sha256=e8b6fdeb11c34cb5eaf55015adf92c9b40488c32806104cb1418c70052c62b8a
md5=897eca0b2ee553a9edba1d0dc7b17e98
Description
For more details, read the homepage on github:
https://github.com/UnixJunkie/consent
Please cite the corresponding paper (https://doi.org/10.1186/s13321-017-0248-5) in case you use this software and publish about your results (Consensus queries in ligand-based virtual screening experiments. F. Berenger, O. Vu and J., Meiler. Journal of Cheminformatics, November 2017).
Published: 28 Jan 2019
Dependencies (15)
- conf-rdkit
- conf-python-2-7
- conf-openbabel
- conf-boost
- dokeysto_camltc
- cpm
- minivpt
- qcheck
- camlzip
-
dolog
< "4.0.0" -
minicli
>= "5.0.0" - parmap
-
bitv
>= "1.2" - batteries
-
dune
< "2.0"
Dev Dependencies
None
Used by
None
Conflicts
None
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