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GPU based fast Shape alignment of molecules #RDKit #Roshambo2 #Cheminformatics – Is life worth living?
https://iwatobipen.wordpress.com/2025/09/28/gpu-based-fast-shape-alignment-of-molecules-rdkit-roshambo2-cheminformatics/
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chemoinformatics
Most of readers know that power of GPU changes the way of cheminformatics. I introduced nvMolkit which is developed by NVIDIA for cheminformatics tasks. Now we can handle huge amount of data in sho…
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