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PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with an easy-to-use user interface which makes it a valuable tool for Computer-Aided Drug Design. PyRx also includes chemical spreadsheet-like functionality and powerful visualization engine that are essential for structure-based drug design. Please visit Videos page for getting started screencasts.

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The free version is an old version with no bug fixes or support. The new version has many new features added including an option to run Inverse Virtual Screening. Compete list of new features and bug fixes is available in PyRx 0.9.x Release Announcements on our Blog. Academic, nonprofits and small profit businesses making less than $40k/year can use coupon code ACADEMIC to get 50% off the latest version. Enterprise option is for universities or companies with more than 500 employees. This is for IT departments that plan to distribute PyRx to multiple labs and it includes PyRx for Windows, Linux and Mac OS X.

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PyRx is using a large body of established open source software including:


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Publications Using PyRx PDF Print E-mail

The following are publications where PyRx has been mentioned. Please let us know if we miss any citation. Thank you all for using PyRx!

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