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Sync Dataset and ProcedureDataset derived data holders

Open dgasmith opened this issue 5 years ago • 2 comments

ProcedureDataset-based collections have additional features such as get_entry and get_record that Dataset-based collections do not have. At first pass we can simply add them to Dataset derivatives, but it might be worth taking a deeper look at how the class structures are evolving to make sure the drift isn't too severe.

See https://github.com/openforcefield/qca-dataset-submission/pull/36.

dgasmith avatar Jul 30 '19 19:07 dgasmith

@mattwelborn Could you consider this issue as well as our overhaul Dataset classes?

dgasmith avatar Oct 01 '19 21:10 dgasmith

Can do.

mattwelborn avatar Oct 01 '19 22:10 mattwelborn