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sustainable-processes / ORDerly

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
MIT License
69 stars 8 forks source link

keep track of df index #142

Closed dswigh closed 4 months ago

dswigh commented 1 year ago

retain df index throughout the cleaning script, so it can be used to create invariant test set (particularly useful to have an invariant test set between the two rxn str datasets)

dswigh commented 4 months ago

Fixed, the index is retained