Originally published at: https://developer.nvidia.com/blog/new-models-molmim-and-diffdock-power-molecule-generation-and-molecular-docking-in-bionemo/
The search for viable drugs is one of the most formidable challenges at the intersection of science, technology, and medicine. Mathematically, the odds of randomly stumbling across a good therapeutic candidate are staggeringly small. This is owed primarily to the astronomically large number of ways that just a handful of atoms can be connected together…