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Published 20 hours ago • verified publisher icon openforcefield

API to download data on demand

Open ijpulidos opened this issue 3 years ago • 2 comments

It would be very useful if we can install and use the plbenchmarks package without having to download the complete data set. Having points in the API that download the data on demand would be required to accomplish this.

ijpulidos avatar Oct 05 '21 00:10 ijpulidos

See #46, but ideally this API could also target a specific revision of the data where required.

richardjgowers avatar Apr 20 '22 11:04 richardjgowers

I love the MDAnalysisData-like API that @IAlibay mentions in #16 as an inspiration for this API.

Hosting the datasets elsewhere may mean that some cleverness is required to curate the consistent set of DOIs or individual dataset versions that are considered "a benchmark set release" people can compare against in the literature, as @richardjgowers points out.

jchodera avatar Apr 20 '22 11:04 jchodera