Skip to content

screenlamp is a Python toolkit for hypothesis-driven virtual screening. Raschka, Scott, et al., (2018) JCAMD

License

Notifications You must be signed in to change notification settings

psa-lab/screenlamp

 
 

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

70 Commits
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

screenlamp logo

Python 3.6 License GitHub

A toolkit for ligand-based virtual screening

Screenlamp is a Python package for facilitating ligand-based virtual screening workflows and toolkits with hypothesis-driven filtering steps.

The official documentation is available at https://psa-lab.github.io/screenlamp.

About

The screenlamp toolkit was developed in the Protein Structure Analysis & Design Laboratory at Michigan State University. For additional information about screenlamp, please refer to the accompanying research publication, which is currently under revision:

  • Raschka, Sebastian, Anne M. Scott, Nan Liu, Santosh Gunturu, Mar Huertas, Weiming Li, and Leslie A. Kuhn (2018). "Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control". Journal of Computer-Aided Molecular Design 32: 415.
    [biorxiv preprint] [Journal article]

Screenlamp is research software and has been made available to other researchers under a permissive Apache v2 open source license. If you use screenlamp in your scientific projects or any derivative work, the authors of the screenlamp software must be acknowledged and the publication listed above should be cited.

Contact

If you encounter bugs or other technical issues with the screenlamp software package, please send an email to [email protected] or use the Issue Tracker. For questions about the screenlamp research article, please contact the publisher or corresponding author directly instead.

About

screenlamp is a Python toolkit for hypothesis-driven virtual screening. Raschka, Scott, et al., (2018) JCAMD

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • Python 100.0%