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 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 Rational Drug Design. Please visits PyRx home page to learn more about PyRx and watch videos on how to use it.

Features

  • 3D Viewer
  • Virtual Screening
  • Computer-Aided Drug Design
  • AutoDock 4
  • AutoDock Vina

Project Samples

Project Activity

See All Activity >

License

BSD License

Follow PyRx - Virtual Screening Tool

PyRx - Virtual Screening Tool Web Site

Other Useful Business Software
Convert CentOS to Red Hat Enterprise Linux on Azure Icon
Convert CentOS to Red Hat Enterprise Linux on Azure

Go beyond legacy Linux and streamline your CentOS migration journey by moving mission-critical workloads to Red Hat Enterprise Linux on Azure.

CentOS Linux is experiencing End of Life on June 30th, leading to potential gaps in security. With Red Hat Enterprise Linux on Azure, IT Teams can seamlessly migrate mission-critical CentOS Linux workloads knowing they don’t have to compromise on security, scalability, reliability, and simplifying cloud management. Securely accelerate innovation and unlock a competitive edge with enterprise-grade modern cloud infrastructure.
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of PyRx - Virtual Screening Tool!

Additional Project Details

Operating Systems

Linux, BSD, Mac, Windows

Intended Audience

Healthcare Industry, Science/Research

User Interface

wxWidgets

Programming Language

Python

Database Environment

SQLite

Related Categories

Python Molecular Science Software, Python Bio-Informatics Software, Python 3D Viewers

Registered

2009-09-29