README, provenance information, and conversion scripts?
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jchodera commented
Thanks for putting this online, @brycestx!
It would be great if you could also throw up a README.md noting how the JACS SI material was processed to produce these files, as well as the script you used to process the data! This would be critical for putting together a paper with benchmark data on this prepped set.
brycestx commented
I agree, I've been meaning to get around to this. Let me take care of it now