Old but new molecular generator #RDKit #mishima.syk

In this February, we had opportunity to learn how to use molecular generator in Mishima.syk #13. We used REINVENT for generator. It works on pytorch ver0.3, but raise error when the code run on new version of pytorch. Deep learning framework is rapidly upgraded. It is difficult to maintenance OSS code I think. I demonstratedContinue reading “Old but new molecular generator #RDKit #mishima.syk”