jjimenezluna/bioemu-rev (#1)
Browse files- pr (c48d73b37add738712c63d19dac76db414f3da62)
- remove gitattributes (401df5bb04e82a96d369becce99e70166e6de161)
- change checkpoint name (56b2dc91f3ca8fc3662cd9470a7b33c40814be72)
- clean state dict (90c4dee1126ec319c72702a544488bf3ec526230)
- update checkpoint with Sarahs surgery script (ac7236b7349c83f610a6fe0a71a39194720911c9)
checkpoints/bioemu-rev/checkpoint.ckpt
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version https://git-lfs.github.com/spec/v1
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oid sha256:c2fa4e3094d5db1b465024b95d87b976272a2d9b63b7bbb8e97e98a192350fa2
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size 125195114
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checkpoints/bioemu-rev/config.yaml
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score_model:
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_target_: bioemu.shortcuts.DiGConditionalScoreModel
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dim_hidden: 1024
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dim_model: 512
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dim_pair: 256
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dim_single_rep: 64
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dropout: 0.1
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max_distance_relative: 128
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num_buckets: 64
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num_heads: 32
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num_layers: 8
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sdes:
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node_orientations:
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_target_: bioemu.shortcuts.DiGSO3SDE
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cache_dir: ~/sampling_so3_cache
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eps_t: 0.001
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l_max: 2000
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num_omega: 2000
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num_sigma: 1000
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omega_exponent: 3
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overwrite_cache: false
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sigma_max: 2.33
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sigma_min: 0.02
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tol: 1.0e-07
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pos:
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_target_: bioemu.shortcuts.CosineVPSDE
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s: 0.008
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