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toxipredict-api

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toxipredict-api

49.5 kB

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History: 54 commits

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fix: replace SimilarityMaps with manual atom highlight visualization

73a5bc0 verified about 1 month ago

agent
Upload agent/toxicologist_agent.py with huggingface_hub about 1 month ago
backend
fix: update model to ResGATv2_JK_VN (node_dim=45, edge_dim=11, 10 tasks) about 1 month ago
explain
fix: replace SimilarityMaps with manual atom highlight visualization about 1 month ago
models
fix: correct node features to 45-dim (exact one-hot + mass) about 1 month ago
routes
fix: SHAP explain - torch import, reduce samples, fix visualizer scale about 1 month ago
utils
Upload utils/preprocessing.py with huggingface_hub about 1 month ago
.env.example

594 Bytes
Upload .env.example with huggingface_hub about 1 month ago
.gitattributes

1.52 kB
initial commit about 1 month ago
Dockerfile

909 Bytes
fix: add libexpat1 for RDKit Draw about 1 month ago
README.md

196 Bytes
initial commit about 1 month ago
app.py

2.02 kB
Upload app.py with huggingface_hub about 1 month ago
config.py

1.74 kB
fix: update model architecture, features, config to match trained model about 1 month ago
database.py

1.23 kB
Upload database.py with huggingface_hub about 1 month ago
firebase_auth.py

2.12 kB
fix: correct Firebase project ID and remove debug logging about 1 month ago
requirements.txt

315 Bytes
fix: update model architecture, features, config to match trained model about 1 month ago