https://github.com/rasbt/screenlamp

screenlamp is a Python toolkit for hypothesis-driven virtual screening
https://github.com/rasbt/screenlamp

bioinformatics computational-biology computational-chemistry docking drug-discovery ligand-screening pharmacometrics python virtual-screening

Last synced: 5 months ago
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screenlamp is a Python toolkit for hypothesis-driven virtual screening

• Host: GitHub
• URL: https://github.com/rasbt/screenlamp
• Owner: rasbt
• License: apache-2.0
• Created: 2017-04-06T00:18:14.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2018-03-19T19:31:50.000Z (over 7 years ago)
• Last Synced: 2025-03-30T22:32:18.945Z (6 months ago)
• Topics: bioinformatics, computational-biology, computational-chemistry, docking, drug-discovery, ligand-screening, pharmacometrics, python, virtual-screening
• Language: Python
• Homepage: https://psa-lab.github.io/screenlamp
• Size: 6.08 MB
• Stars: 22
• Watchers: 3
• Forks: 11
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.txt

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### 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](http://www.kuhnlab.bmb.msu.edu) 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](https://www.biorxiv.org/content/early/2018/01/17/249151)]

 [[Journal article](https://link.springer.com/article/10.1007/s10822-018-0100-7)]

Screenlamp is research software and has been made available to other researchers under a permissive [Apache v2 open source license](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 [kuhnlab@msu.edu](mailto:kuhnlab@msu.edu) or use the [Issue Tracker](https://github.com/psa-lab/screenlamp/issues). For questions about the [screenlamp research article](cite/index.html), please contact the publisher or [corresponding author](mailto:kuhnl@msu.edu) directly instead.