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High Performance Binding Affinity Prediction with a Transformer-Based Surrogate Model.
Archit Vasan
Ozan Gökdemir
Alexander Brace
Arvind Ramanathan
Thomas S. Brettin
Rick Stevens
Venkatram Vishwanath
Published in:
IPDPS (Workshops) (2024)
Keyphrases
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prediction model
probabilistic model
mathematical model
computational model
classification models
statistical model
least squares
prediction accuracy
decision trees
theoretical framework
fuzzy logic
management system
conceptual model
neural network model
formal model
data model
pairwise