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Port fingerprint folding to GPU #30

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lorton opened this issue Aug 12, 2018 · 0 comments
Open

Port fingerprint folding to GPU #30

lorton opened this issue Aug 12, 2018 · 0 comments

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@lorton
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lorton commented Aug 12, 2018

Right now the code is relatively GPU-friendly, but only runs on the CPU. It takes about 1 minute per 10 million compounds at startup, so a 1 billion compound database would take almost 2 hours. We could likely speed it up ~100x by moving to the GPU.
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