Let’s use RDKit more conveniently! #RDKit #chemoinformatics #useful_rdkit_utils

I believe that all chemoinformatian think RDKit is really useful package for OSS chemoinformatics tools ;-) RDKit provides lots of useful function not only to build 2D based predictive model but also to make 3D structure from 1D/2D molecules. However sometime we need to write code of routine task, for example molecule to bit vectorContinue reading “Let’s use RDKit more conveniently! #RDKit #chemoinformatics #useful_rdkit_utils”