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Add mini model for testing
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31
config_jsons/mini_model.json
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31
config_jsons/mini_model.json
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{
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"angles_definitions": "canonical-full-angles",
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"zero_center": true,
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"timesteps": 250,
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"max_seq_len": 128,
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"min_seq_len": 40,
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"trim_strategy": "discard",
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"variance_schedule": "cosine",
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"variance_scale": 1.0,
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"time_encoding": "gaussian_fourier",
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"position_embedding_type": "relative_key",
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"num_hidden_layers": 6,
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"hidden_size": 192,
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"intermediate_size": 384,
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"num_heads": 6,
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"dropout_p": 0.1,
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"decoder": "mlp",
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"gradient_clip": 1.0,
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"lr": 5e-5,
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"loss": "smooth_l1",
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"l2_norm": 0.0,
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"l1_norm": 0.0,
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"circle_reg": 0.0,
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"lr_scheduler": "LinearWarmup",
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"min_epochs": 20,
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"max_epochs": 20,
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"early_stop_patience": 0,
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"use_swa": false,
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"batch_size": 128,
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"multithread": true
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}
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mamba create -n inverse -c conda-forge pytorch_geometric pytorch-gpu=1.10
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pip install biotite
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pip install git+https://github.com/facebookresearch/esm.git
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