Handle rdkit molobjects with String/BytesIO #RDKit #memo

This post has no new topics but just for my memo. I often want to read and write molecule ad hoc without writing them to file objects. RDKit has two kinds of SDF reader one is SDMolSupplier and the other is ForwardSDMolSupplier and has a SDF writer SDWriter. SDWriter supports StringIO and Forward SDSupplier supportsContinue reading “Handle rdkit molobjects with String/BytesIO #RDKit #memo”

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