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A remark on the efficiency of the double-system/single-box nonequilibrium approach in the SAMPL6 SAMPLing challenge.
Piero Procacci
Published in:
J. Comput. Aided Mol. Des. (2020)
Keyphrases
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computational complexity
information retrieval
multiresolution
sample size
random sampling
real time
databases
machine learning
artificial intelligence
active learning
computational efficiency
highly efficient
high efficiency