Sure. It can't. Even GPUs will beat a CPU. In my paper I commented: > GPU memory bandwidth is an order of magnitude higher than CPU bandwidth, so a GPU impleme

Sure. It can't. Even GPUs will beat a CPU. In my paper I commented: > GPU memory bandwidth is an order of magnitude higher than CPU bandwidth, so a GPU implementation of the Tanimoto search kernel should be about ten times faster. Chemfp has avoided GPU support so far because it’s not clear that the demand for similarity search justifies dedicated hardware, especially if the time to load the data into the GPU is slower than the time to search it on the CPU. GPUs are more likely to be appropriate for clustering mid-sized datasets where the fingerprints fit into GPU memory. Corporate compound sets have ~5 million records. That can be searched on a laptop in about 50ms. A large data set containing physically measured properties is ~100M records, which takes a bit over a second. The largest data sets people search, with synthetically generated compounds, is around 1G records. That requires distributed computing. But most people don't work with them. They say the best camera is the one you have with you. Most people have a CPU with them. Fewer have massive parallel HW with them.