dist_backend: nccl
backbone_config:
  name: e2former
  encoder_embed_dim: 1024
  ffn_embedding_dim: 1536
  num_attention_heads: 32
  dropout: 0.1
  num_encoder_layers: 12
  pbc_expanded_token_cutoff: 256
  pbc_expanded_num_cell_per_direction: 4
  num_layers: 3
  irreps_node_embedding: 256x0e+256x1e+256x2e
  irreps_head: 2x0e+2x1e+2x2e
  attn_scalar_head: 8
  num_attn_heads: 128
  number_of_basis: 256
  max_radius: 5
  max_neighbors: None
  alpha_drop: 0
  basis_type: gaussiansmear
  norm_layer: rms_norm_sh
  attn_type: zero-order
  tp_type: QK_alpha+softplus+triton
  edge_embedtype: default
  ffn_type: s3
  encoder: default
  with_cluster: node
  long_range_layers: 1
  long_cutoff_upper: 8
scheduler_config:
  warmup_steps: 15000
  warmup_factor: 0.2
  lr_min_factor: 0.01
strategy_config:
  name: ddp
  dist_backend: nccl
  find_unused_parameters: true
backbone: e2former
head_cfg_str: share
dataset_name_list: omol25,svp
loss_unit: ev
loss_fn: atoml2mae
AutoGradForce: true