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GNINA 1.0: molecular docking with deep learning.
Andrew T. McNutt
Paul G. Francoeur
Rishal Aggarwal
Tomohide Masuda
Rocco Meli
Matthew Ragoza
Jocelyn Sunseri
David Ryan Koes
Published in:
J. Cheminformatics (2021)
Keyphrases
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deep learning
hiv protease
unsupervised learning
machine learning
unsupervised feature learning
mental models
restricted boltzmann machine
three dimensional
weakly supervised
object recognition
deep belief networks
pattern recognition
generative model
conditional random fields
deep architectures