PyRx – Python Prescription

Virtual Screening Tool

Introduction

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by

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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.
  • Academic
  • $994.58 $1,989.16
  • Choose

 

Dockamon – PyRx

  • Academic
  • $1,394.58 $2,789.16

  • Pro
  • $2,789.16

The free version is an old version that is no longer supported. Academic and Pro are the latest supported versions with many new features added, including 64-bit support for Windows and Linux. A complete list of new features and bug fixes is available in PyRx 0.9.x Release Announcements on our Blog. There is no feature difference between Academic and Pro. Academic is discounted for academics and nonprofits who can use coupon code ACADEMIC to get 50% off. The license is perpetual and there are no subscription fees. This software can be installed on multiple devices in the same lab. Please do not distribute PyRx to more than 10 people in the same lab for commercial purposes. There is no limit on the number of computers Academic users can install PyRx in the same lab. Please do not share PyRx outside of your lab. If you need to distribute PyRx to more than 10 people for commercial purposes, you need to choose the Enterprise option that includes PyRx for Windows, Linux, and Mac OS X.

Purchase and product fulfillment are through FastSpring, our trusted reseller with industry-standard encryption to protect the confidentiality of your personal information. All sales are final. Full refund if unable to install. FastSpring handles all Sales, Use, VAT, GST, HST, PST, QST, and other transaction-related tax obligations. Please use this page for support inquiries related to taxes.

Our free version has Download PyRx. A screenshot below shows the geographic distribution of these downloads.

PyRx has been actively used in many publications to find potential drug candidates after its first release back in 2010 and especially since the earlier days of the COVID-19 pandemic. There are also many other applications of PyRx that interested readers can see in the list of publications below.

PyRx is an official winner of the following awards by SourceForge:

PyRx – Virtual Screening Tool

PyRx – Virtual Screening Tool

PyRx – Virtual Screening Tool

PyRx – Virtual Screening Tool

PyRx – Virtual Screening Tool

Acknowledgment

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