Extract all reactions at start

sustainable-processes / ORDerly

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

MIT License

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Closed dswigh closed 1 year ago

dswigh commented 1 year ago

-extract script extracts all reactions (even if reactant and prod are the same) so starting point for trust and no trust are the same

No longer adding molecules with only a name but no smiles string from input/outcome field