augment_eps: 0.0
num_encoder_layers: 10
hidden_dim: 128
node_features: 128
edge_features: 128
k_neighbors: 30
dropout: 0.1
att_output_mlp: true
node_output_mlp: true
Ca_Ca: 1
Ca_C: 1
Ca_N: 1
Ca_O: 1
C_C: 1
C_N: 1
C_O: 1
N_N: 1
N_O: 1
O_O: 1
updating_edges: 4
node_dist: 1
node_angle: 1
node_direct: 1
edge_dist: 1
edge_angle: 1
edge_direct: 1
virtual_num: 3
fix_gnn: 1
fix_esm: 1
recycle_n: 6
msa_n: 2
temporature: 0.05
tunning_layers_n: 4
tunning_layers_dim: 256
tunning_dropout: 0.1
input_design_dim: 128
input_esm_dim: 1280
use_LM: 1
use_gearnet: 0
use_esmif: 1
load_memory: 1
use_confembed: 1
dihedral_type: 0
NAT: 3
node_net: AttMLP
edge_net: EdgeMLP
node_context: 1
edge_context:
- 0
autoregressive: 0
AT_layer_num: 3
use_gvp_feat: 0
num_decoder_layers1: 3
kernel_size1: 3
act_type: silu
num_decoder_layers2: 3
kernel_size2: 3
glu: 0
load_epoch: 4
# method: 'KWDesign'
# hidden_dim: 128
# node_features: 128
# edge_features: 128
# k_neighbors: 30
# # k_neighbors: 48
# dropout: 0.1
# # att_output_mlp: True
# # node_output_mlp: True
# num_encoder_layers: 10
# Ca_Ca: 1
# Ca_C: 1
# Ca_N: 1
# Ca_O: 1
# C_C: 1
# C_N: 1
# C_O: 1
# N_N: 1
# N_O: 1
# O_O: 1
# updating_edges: 4
# node_dist: 1
# node_angle: 1
# node_direct: 1
# edge_dist: 1
# edge_angle: 1
# edge_direct: 1
# virtual_num: 3
# fix_gnn: 1
# fix_esm: 1
# recycle_n: 3
# msa_n: 2
# temporature: 0.05
# tunning_layers_n: 4
# tunning_layers_dim: 256
# tunning_dropout: 0.1
# input_design_dim: 128
# input_esm_dim: 1280
# use_LM: 1 
# use_gearnet: 0
# use_esmif: 1
# load_memory: 1
# use_confembed: 1
# att_output_mlp: True
# node_output_mlp: True
# dihedral_type: 0
# NAT: 3
# node_net: 'AttMLP'
# edge_net: 'EdgeMLP'
# node_context: 1
# edge_context: 0,
# autoregressive: 0
# AT_layer_num: 3
# use_gvp_feat: 0
# num_decoder_layers1: 3 
# kernel_size1: 3 
# act_type: 'silu'
# num_decoder_layers2: 3
# kernel_size2: 3
# glu: 0
# load_epoch: 4
# epoch: 5
# batch_size: 32
# lr: 0.001
# patience: 100