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Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size.
Albert Musaelian
Anders Johansson
Simon L. Batzner
Boris Kozinsky
Published in:
CoRR (2023)
Keyphrases
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error rate
window size
model selection
data sets
evolutionary algorithm
accurate models
simulation models
probabilistic model
high accuracy
statistical models
belief nets
models built
high precision
probability distribution
prior knowledge
real life
social networks
machine learning