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m2ms / fragalysis-frontend

The React, Redux frontend built by webpack
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Download RHS compound sets as SDF with same metadata as CSV #1583

Open mwinokan opened 6 days ago

mwinokan commented 6 days ago

Using the data from the metadata.csv construct an SDF by adding an rdkit.Chem.Mol column and ensuring the generated RHS shortcodes (e.g. v1a) are used as the molecule names/ids @kaliif will need to create new functionality as the CSV data constructed in the f/e