Table 2 Comparison of the computational cost for water models

From: Machine learning coarse grained models for water

Model

Cost in core-sec for 10 ps

mW

3.6

ML-BOP

3.8

ML-BOPdih

5.9

ML-mW

2.5

TIP4P/2005

400.0

MB-pol

3213650.0

AMOEBA

1550.0

TIP4P/Ew

410.4

SPC/E

185.6

TIP3P

184.4

  1. The benchmark system is liquid water (256 molecules) at 298 K
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