| _target_: flowmm.model.arch.CSPNet | |
| hidden_dim: 512 | |
| time_dim: 256 | |
| num_layers: 6 | |
| act_fn: silu | |
| dis_emb: sin | |
| num_freqs: 128 | |
| edge_style: fc | |
| max_neighbors: 20 | |
| cutoff: 7. | |
| ln: true | |
| use_log_map: false # false would put it in line with DiffCSP (euclidean distance function) | |
| dim_atomic_rep: ${get_dim_atomic_rep:${model.manifold_getter.atom_type_manifold}} | |
| lattice_manifold: ${model.manifold_getter.lattice_manifold} | |
| concat_sum_pool: false | |
| represent_num_atoms: false | |
| represent_angle_edge_to_lattice: false | |
| self_edges: true # weird, but this is what diffcsp does! | |
| self_cond: ${model.self_cond} | |