Add .gitattributes and bioemu-v1.0 checkpoint

.gitattributes

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checkpoints/bioemu-v1.0/README.md

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+This is the main model 'BioEmu' used to generate results in the preprint  https://www.biorxiv.org/content/10.1101/2024.12.05.626885v1.abstract

checkpoints/bioemu-v1.0/checkpoint.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:fcaabc42128cfeac498a5d87fb1ddc786d8c0abbfcb53890aff78c777b1e87b0
+size 125197482

checkpoints/bioemu-v1.0/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
+  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