rdkit-rs / cheminee

The chemistry search stack
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Smiles-to-molblock endpoint #85

Closed JJ-Pineda closed 3 months ago

JJ-Pineda commented 3 months ago

Description Resolves #84 by introducing a smiles-to-molblock API endpoint. Now users can submit an array of compound smiles, and the endpoint will attempt to convert each input smiles into a molblock.

Also made some minor changes to other the compound processing endpoints (e.g. for greater interpretability).