Train CNN model using Gnina v1

Eric Chen,Anthony Cruz,Viktor Hornak, David Koes,Tom Kurtzman

protocols.io（2019）

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摘要

In this protocal, we described the precedures to train a CNN model using DUD-E dataset. we docked all compunds to the binding site of each DUD-E target and use the docked pose as the input for model training.

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