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Thermodynamic Transferability in Coarse-Grained Force Fields using Graph Neural Networks.
Emily Shinkle
Aleksandra Pachalieva
Riti Bahl
Sakib Matin
Brendan Gifford
Galen T. Craven
Nicholas Lubbers
Published in:
CoRR (2024)
Keyphrases
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coarse grained
fine grained
neural network
high level
access control
shared memory
structured data
protein sequences
genetic algorithm
computer vision
similarity measure
query expansion
word sense