Upload ./checkpoints/bioemu-v1.2/config.yaml with huggingface_hub
Browse files
checkpoints/bioemu-v1.2/config.yaml
ADDED
|
@@ -0,0 +1,28 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
score_model:
|
| 2 |
+
_target_: bioemu.shortcuts.DiGConditionalScoreModel
|
| 3 |
+
dim_hidden: 1024
|
| 4 |
+
dim_model: 512
|
| 5 |
+
dim_pair: 256
|
| 6 |
+
dim_single_rep: 64
|
| 7 |
+
dropout: 0.1
|
| 8 |
+
extra_residue_embeds: true
|
| 9 |
+
max_distance_relative: 128
|
| 10 |
+
num_buckets: 64
|
| 11 |
+
num_heads: 32
|
| 12 |
+
num_layers: 8
|
| 13 |
+
sdes:
|
| 14 |
+
node_orientations:
|
| 15 |
+
_target_: bioemu.shortcuts.DiGSO3SDE
|
| 16 |
+
cache_dir: ~/sampling_so3_cache
|
| 17 |
+
eps_t: 0.001
|
| 18 |
+
l_max: 2000
|
| 19 |
+
num_omega: 2000
|
| 20 |
+
num_sigma: 1000
|
| 21 |
+
omega_exponent: 3
|
| 22 |
+
overwrite_cache: false
|
| 23 |
+
sigma_max: 2.33
|
| 24 |
+
sigma_min: 0.02
|
| 25 |
+
tol: 1.0e-07
|
| 26 |
+
pos:
|
| 27 |
+
_target_: bioemu.shortcuts.CosineVPSDE
|
| 28 |
+
s: 0.008
|