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toxipredict-api / models

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History: 11 commits

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fix: correct node features to 45-dim (exact one-hot + mass)

09e6d6a verified 14 days ago

loader.py

2.08 kB
fix: update model architecture, features, config to match trained model 14 days ago
molecule_graph.py

3.04 kB
fix: correct node features to 45-dim (exact one-hot + mass) 14 days ago
multitask_gnn.py

2.42 kB
fix: update model architecture, features, config to match trained model 14 days ago
uncertainty_loss.py

1.53 kB
Upload models/uncertainty_loss.py with huggingface_hub 15 days ago