PyRx – Python Prescription

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Category: PyRx

  • PyRx – SMINA Release Announcement

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    We are pleased to announce the release of a new product called PyRx – SMINA. This new product includes an option to select SMINA as a docking software for Vina Wizard, as shown in the image below: SMINA is a fork of AutoDock Vina enhanced with custom scoring functions and extended options for pose generation. 

  • PyRx 1.2 New Features Video

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  • PyRx 1.2 Release Announcement

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    We are pleased to announce the release of PyRx 1.2. The following are new features included in this release: Fix for AttributeError in PyRx: “vtkAssembly object has no attribute ‘tuber’. This would happen when the number of atoms on ligand is > 200. Automatic Binding Site Detection: a method for automatically detecting possible binding sites…

  • Top 10 Counties Downloading PyRx

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    Source: https://sourceforge.net/projects/pyrx/files/stats/map?dates=2009-09-29+to+2025-03-08

  • Fix for AttributeError in PyRx: “vtkAssembly object has no attribute ‘tuber'”

    Fix for AttributeError in PyRx: “vtkAssembly object has no attribute ‘tuber’”

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    PyRx is designed to dock small molecule libraries, and we welcome all users to push it to the limit of larger molecules. Amit Sharma from Washington University in St. Louis recently reported a PyRx issue that involved docking ligands with more than 200 atoms. Omar Al-Attraqchi from CrescentSilico was able to fix this bug quickly,…

  • Updated PyRx Website

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    We have updated the PyRx website. Thanks to Joomla to WordPress plugin. Please open a support ticket if you find any broken links or missing information.

  • Publications Using PyRx

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    The following are publications where PyRx has been mentioned. PyRx is also cited in patent applications. Thank you all for using PyRx! Canthaxanthin downregulates EGFR in NSCLC: network pharmacology, molecular docking, dynamics simulations, ADMET, and in-vitro analysis Pant J, Mittal P, Singh L, Marwah H. Mol Divers. 2025 Jun 14. doi: 10.1007/s11030-025-11246-y. Discovery of novel…

  • PyRx 1.1 Release Announcement

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    We are pleased to announce the release of PyRx 1.1. The following are new features included in this release: Machine Learning Scoring Function: Integrate the powerful RF-Score V2 machine learning scoring function to accurately assess docked poses or imported ADME Radar Chart: Create customizable radar charts that depict ADME-related properties for OpenBabel molecules, offering a…

  • PyRx 1.1 New Features

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  • PyRx Binary Distribution

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    PyRx is open source software for Computer-Aided Drug Design distributed under Simplified BSD License. System Requirements for PyRx are similar to Second Life. Windows Free 0.8 Choose Academic $994.58 $1,989.16 Choose Pro $1,989.16 Choose Troubleshooting – Installation Problems If you have previous version of PyRx installed and are having problems installing the new version, please…