training set size | Alkane pyrolysisa | NewtonNet | NewtonNet |
---|---|---|---|
35 496 | 28 396 | 10 000 | |
Forces (train) | 9.68 | 5.69 | 7.58 |
Forces (test) | — | 6.50 | 8.71 |
training set size | Alkane pyrolysisa | NewtonNet | NewtonNet |
---|---|---|---|
35 496 | 28 396 | 10 000 | |
Forces (train) | 9.68 | 5.69 | 7.58 |
Forces (test) | — | 6.50 | 8.71 |