package lbvs_consent
Chemoinformatics software for consensus fingerprint queries
Install
Dune Dependency
Authors
Maintainers
Sources
v2.1.2.tar.gz
md5=c5781fa8303fba1a661c03ded74cc87b
Description
Chemoinformatics software to do similarity searches using consensus fingerprint queries.
For more details, see the README on github:
https://github.com/UnixJunkie/consent
Please cite the corresponding paper in case you use this software and publish about your results:
@article{Berenger2017, title={Consensus queries in ligand-based virtual screening experiments}, author={Berenger, Francois and Vu, Oanh and Meiler, Jens}, journal={Journal of Cheminformatics}, volume={9}, number={1}, pages={60}, year={2017}, publisher={BioMed Central}, doi={10.1186/s13321-017-0248-5}, }
Published: 26 Dec 2020
Dependencies (15)
- conf-rdkit
- conf-python-3
- conf-openbabel
- conf-boost
-
minicli
>= "5.0.0"
- dokeysto_camltc
- cpm
- minivpt
- qcheck
- camlzip
-
dolog
>= "4.0.0"
- parmap
-
bitv
>= "1.2"
- batteries
-
dune
>= "1.6"
Dev Dependencies
None
Used by
None
Conflicts
None
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