Hi, I see that back in 2014 there was some discussion of using CUDA inside of RDKit and how it may be possible to produce a FastROCS-like open source alternative. I was curious if anyone had made such a breakthrough. Since GPU availability is now so common, and datasets are becoming so large, I figured that more and more people would be thinking RDKit + GPU = :-)
Thanks in advance. Andy
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss