| model: | |
| precision: 64 | |
| num_chem_elements: 4 | |
| edge_cutoff: 4.0 | |
| num_edge_rbf: 8 | |
| num_edge_poly_cutoff: 6 | |
| num_vel_rbf: 8 | |
| vel_max: 0.11 | |
| max_rotation_order: 2 | |
| num_hidden_channels: 64 | |
| num_mp_layers: 4 | |
| edge_mlp_kwargs: | |
| n_neurons: | |
| - 64 | |
| - 64 | |
| - 64 | |
| activation: silu | |
| vel_mlp_kwargs: | |
| n_neurons: | |
| - 64 | |
| - 64 | |
| - 64 | |
| activation: silu | |
| nl_gate_kwargs: | |
| activation_scalars: | |
| o: tanh | |
| e: silu | |
| activation_gates: | |
| e: silu | |
| conserve_ang_mom: true | |
| o3_backend: e3nn | |
| net_lin_mom: | |
| - 0.0 | |
| - 0.0 | |
| - 0.0 | |
| net_ang_mom: | |
| - 0.0 | |
| - 0.0 | |
| - 0.0 | |