Re: [Rdkit-discuss] pandas / sd-tags

Dear Niko, I was exactly looking for this functionality, great work! A few follow-up questions: * frame.set_index('_Name') did not work, but there is a name set in the SD file. * Is there a way to load in only a specified list of SD tags? (I didn't find a names parameter for LoadSDF) *

Re: [Rdkit-discuss] pandas / sd-tags

Hi Paul, I'll answer directly below. Dear Niko, I was exactly looking for this functionality, great work! A few follow-up questions: * frame.set_index('_Name') did not work, but there is a name set in the SD file. The molecule name is contained in the column specified by the optional