Table 3.

Difference in Hyperparameters of PhysNet and sPhysNet.

Name	PhysNet	sPhysNet
num_featurea	128	160
Nmodule	5	3
$N_{\mathit{\text{residual }}}^{\mathit{\text{atomic }}}$	2	1
$N_{\mathit{\text{residual }}}^{\mathit{\text{interaction }}}$	3	1
$N_{\mathit{\text{residual }}}^{\mathit{\text{output }}}$	1	1
Total trainable params	1.29M	0.74M

^anum_feature is the length of the atom vector.