Category: Uncategorized

  • Consulting

    We are happy to provide PyRx consulting services. We know PyRx better than anyone in the world and can help you customize PyRx for your project and workflows. You can schedule 30 minute meeting to describe your project or use the form below to get started. Please use Discussion forum to ask questions and participate…

  • Older Publications Using PyRx

    The following are older publications where PyRx has been mentioned. Please let us know if we miss any citation. Thank you all for using PyRx! Exploring common pathogenic association between Epstein Barr virus infection and long-COVID by integrating RNA-Seq and molecular dynamics simulations Kanwal A, Zhang Z. Front Immunol. 2024 Sep 26;15:1435170. Therapeutic potential of…

  • HPC and AWS

    Please note that this feature requires access to a High-Performance Computing (HPC) cluster. If you already have an HPC cluster setup, which can be very expensive, then you can use the Linux version of PyRx to run on the cluster head node. See, for instance, this link on how Centre for Advanced Computing at Queen’s…