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ParAMS: Parameter Optimization for Atomistic and Molecular Simulations.
Leonid Komissarov
Robert Rüger
Matti Hellström
Toon Verstraelen
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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parameter optimization
molecular dynamics
differential evolution
genetic algorithm ga
genetic algorithm
parameter estimation
support vector machine
parameter settings
hyperparameters
feature selection
pid controller