Table 1 Performance of ML models compared to other popular water models

Neighbors_{3.3 Å, 298 K}

9

9

9

10

9

9

9

9

10

res_{RDF, 298 K}

3

4

8

8

7

9

7

6

0

res_{ADF, 298 K}

7

7

7

7

6

7

7

6

6

ln D_298 K

5

5

0

0

8

9

8

8

0

ρ_{298K, 1atm}^a

10

10

10

10

9

8

10

9

7

ρ_max^a

10

10

10

9

10

7

10

8

2

TMD^a

10

10

10

6

10

7

10

5

0

ΔH_vap

8

8

9

9

4

8

8

6

10

T_m

10

10

8

10

7

9

7

1

0

TMD - T_m

10

10

7

4

6

8

7

6

4

ΔH_melt^a

7

7

9

8

6

–

7

0

0

ΔS_melt

7

7

8

7

7

–

7

3

0

ρ_{liq at Tm}^a

10

10

10

10

9

7

10

8

6

ρ_{Ih at Tm}^a

7

7

8

0

9

9

7

3

3

ΔV_melt

7

7

7

0

8

8

7

4

6

(dp/dT)_melt

9

10

9

0

10

–

9

8

0

Average score

8.1

8.2

8.1

6.1

7.8

8.1

8.2

5.6

3.4