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How do we best view a collection of molecular structures and their biological activities?
This is a central challenge we have in OSM. It would be good if the casual medicinal chemist could simply bro…
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This is on Mac OS X 10.8.4, on a Retina Macbook Pro with CUDA 5.0.61 installed.
It's worth noting that I can run NVIDIA's CUDA examples just fine (such as particles).
The accelerate-quickcheck examp…
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look for a cheminformatics module that can do a structural search for compounds.