Open iwatobipen opened 7 months ago
Hi, thanks for developping really useful package. To get generated molecules xyz file should convert sdf with openbabel. But provided yaml file does not contain openbabel. I think it should be added yaml file. Thanks, Taka
Hi, thanks for developping really useful package. To get generated molecules xyz file should convert sdf with openbabel. But provided yaml file does not contain openbabel. I think it should be added yaml file. Thanks, Taka