Commit ·
00abb1e
1
Parent(s): f51aa5c
Prepared for deploy
Browse files
utils.py
CHANGED
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@@ -20,12 +20,12 @@ DEVICE = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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# MODEL_PATH = "runs/experiment_attention20260124_104439_optuna/models/model_ep041_mse1.9153.pth"
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#
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MODEL_PATH = "models/model_ep041_attention_mse1.9153.pth"
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GAT_HEADS = 4
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HIDDEN_CHANNELS = 128
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def get_inference_data(ligand_smiles, protein_sequence, model_path=MODEL_PATH):
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# MODEL_PATH = "runs/experiment_attention20260124_104439_optuna/models/model_ep041_mse1.9153.pth"
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#
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GAT_HEADS = 2
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HIDDEN_CHANNELS = 256
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MODEL_PATH = "models/model_ep041_attention_mse1.9153.pth"
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# GAT_HEADS = 4
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# HIDDEN_CHANNELS = 128
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def get_inference_data(ligand_smiles, protein_sequence, model_path=MODEL_PATH):
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