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inference:
input_pdb: C:\Users\adminisiterlator\Desktop\fordesignpdb\combine.pdb
num_designs: 1
design_startnum: 0
ckpt_override_path: models/Complex_beta_ckpt.pt
symmetry: null
recenter: true
radius: 10.0
model_only_neighbors: false
output_prefix: testoutputs/binder_test
write_trajectory: true
scaffold_guided: false
model_runner: SelfConditioning
cautious: true
align_motif: true
symmetric_self_cond: true
final_step: 1
deterministic: false
trb_save_ckpt_path: null
schedule_directory_path: null
model_directory_path: null
contigmap:
contigs:
- A4-185/B24-228/C26-313/D30-233/E19-459/F27-454/G1106-1212/H85-835/0 800-800
inpaint_seq: null
provide_seq: null
length: null
model:
n_extra_block: 4
n_main_block: 32
n_ref_block: 4
d_msa: 256
d_msa_full: 64
d_pair: 128
d_templ: 64
n_head_msa: 8
n_head_pair: 4
n_head_templ: 4
d_hidden: 32
d_hidden_templ: 32
p_drop: 0.15
SE3_param_full:
num_layers: 1
num_channels: 32
num_degrees: 2
n_heads: 4
div: 4
l0_in_features: 8
l0_out_features: 8
l1_in_features: 3
l1_out_features: 2
num_edge_features: 32
SE3_param_topk:
num_layers: 1
num_channels: 32
num_degrees: 2
n_heads: 4
div: 4
l0_in_features: 64
l0_out_features: 64
l1_in_features: 3
l1_out_features: 2
num_edge_features: 64
freeze_track_motif: false
use_motif_timestep: false
diffuser:
T: 50
b_0: 0.01
b_T: 0.07
schedule_type: linear
so3_type: igso3
crd_scale: 0.25
partial_T: null
so3_schedule_type: linear
min_b: 1.5
max_b: 2.5
min_sigma: 0.02
max_sigma: 1.5
denoiser:
noise_scale_ca: 1
final_noise_scale_ca: 1
ca_noise_schedule_type: constant
noise_scale_frame: 1
final_noise_scale_frame: 1
frame_noise_schedule_type: constant
ppi:
hotspot_res:
- A97
- A98
- A116
- A118
- A119
- A151
- A153
- A154
- A156
- A190
potentials:
guiding_potentials: null
guide_scale: 10
guide_decay: constant
olig_inter_all: null
olig_intra_all: null
olig_custom_contact: null
substrate: null
contig_settings:
ref_idx: null
hal_idx: null
idx_rf: null
inpaint_seq_tensor: null
preprocess:
sidechain_input: false
motif_sidechain_input: true
d_t1d: 22
d_t2d: 44
prob_self_cond: 0.0
str_self_cond: false
predict_previous: false
logging:
inputs: false
scaffoldguided:
scaffoldguided: false
target_pdb: false
target_path: null
scaffold_list: null
scaffold_dir: null
sampled_insertion: 0
sampled_N: 0
sampled_C: 0
ss_mask: 0
systematic: false
target_ss: null
target_adj: null
mask_loops: true
contig_crop: null
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