I'm a 2nd-year PhD student specializing in cheminformatics, machine learning, and drug discovery in Dr. Jianing Li's lab at Purdue University.
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Purdue University
- West laffayette
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17:22
(UTC -12:00)
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deepfrag
deepfrag PublicForked from durrantlab/deepfrag
DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such that the resulting extension is also highly complementary to th…
Python
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