Comparison between native implemented shape align method of rdkit and rdkit-shape-it #chemoinformatics #RDKit #Shape-based-align

I need to walk with crutches additional two weeks but getting better ;) I hope I would like to start running as soon as possible…. I posted about rdkit shape-it implementation before. I think it’s really useful open source package because it works very fast and can use as python library. It means that you