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  • Posted a comment on discussion General Discussion on PyRx - Virtual Screening Tool

    I'm using PyRx on a 16-core desktop running on Linux. However, it would take me ages to screen the millions of compounds which I have. I have got access to a 96-core local cluster but I'm struggling to find a detailed tutorial on how to set up PyRx on cluster. Can PyRx jobs be run on a local cluster through the desktop PyRx GUI or it has to been installed on the cluster and run through command line?

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Username:
accibio
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2024-10-04 12:03:50.960000

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