PyRx is open-source, user-friendly virtual screening software for computational drug discovery. PyRx is widely used by researchers, pharmaceutical scientists, and students for structure-based drug design, helping accelerate the discovery of new therapeutics. Founded in 2009 by Dr. Sargis Dallakyan during his tenure at The Scripps Research Institute, PyRx began as a side project and evolved into a robust platform supporting academic and commercial drug development. In 2024, Omar Al-Attraqchi (M.Sc. in CADD), a computational expert from Crescent Silico, joined as co-founder to drive its next phase of growth.
The free version of PyRx has more than 
, which is impressive for scientific software. The commercial version of PyRx has been successful from day one and requires no investment, thanks SourceForge.
PyRx is an official winner of the following awards by SourceForge:
PyRx has been extensively utilized in numerous scientific studies, particularly in the field of computational drug discovery. Researchers have employed PyRx for virtual screening and molecular docking to identify potential drug candidates. A list of publications citing PyRx can be found at https://pyrx.sourceforge.io/articles-citing-pyrx.
These publications underscore PyRx’s significant role in advancing computational drug discovery and its widespread adoption in scientific research.
We are looking for more talented co-founders to join the team!