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Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks.
Zachary J. Gale-Day
Laura Shub
Kangway V. Chuang
Michael J. Keiser
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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message passing
neural network
proximity graph
belief propagation
distributed systems
factor graphs
markov random field
shared memory
inference in graphical models
pairwise
sum product algorithm
graph cuts
graphical models
image processing
lower bound
network structure