Hi all,
First off, big fan of VirtualFlow—amazing resource and documentation!
I’m planning to run screens on the Expanse cluster at SDSC with some help from their team (not a Linux pro myself yet). I’d be grateful for clarification on a couple of key points:
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What is the approximate size and file structure of the REAL Space 2022q12 library in ready-to-dock format?
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How many files should I expect?
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Is it feasible to download it to a local HPC cluster, or is AWS hosting required?
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Are there any AWS egress costs or other constraints when accessing or downloading this dataset?