bioemu / checkpoints /bioemu-v1.2 /config.yaml
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score_model:
_target_: bioemu.shortcuts.DiGConditionalScoreModel
dim_hidden: 1024
dim_model: 512
dim_pair: 256
dim_single_rep: 64
dropout: 0.1
extra_residue_embeds: true
max_distance_relative: 128
num_buckets: 64
num_heads: 32
num_layers: 8
sdes:
node_orientations:
_target_: bioemu.shortcuts.DiGSO3SDE
cache_dir: ~/sampling_so3_cache
eps_t: 0.001
l_max: 2000
num_omega: 2000
num_sigma: 1000
omega_exponent: 3
overwrite_cache: false
sigma_max: 2.33
sigma_min: 0.02
tol: 1.0e-07
pos:
_target_: bioemu.shortcuts.CosineVPSDE
s: 0.008