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2 changes: 2 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@ WaterFlow/
├── src/ # Core library code
│ ├── dataset.py # ProteinWaterDataset and data loading
│ ├── flow.py # FlowMatcher and FlowWaterGVP model
│ ├── confidence.py # ConfidenceGVP scorer, targets, vdW clustering
│ ├── gvp.py # Geometric Vector Perceptron layers
│ ├── gvp_encoder.py # GVP-based protein encoder
│ ├── encoder_base.py # Encoder registry and factory (includes ESM/SLAE)
Expand All @@ -21,6 +22,7 @@ WaterFlow/
│ └── generate_slae_embeddings.py # Precompute SLAE embeddings
├── tests/ # Test suite
│ ├── test_dataset.py # Dataset and preprocessing tests
│ ├── test_confidence.py # Confidence scorer, target and clustering tests
│ ├── test_flow.py # Flow matching tests
│ ├── test_encoder.py # Encoder tests
│ ├── test_forward.py # End-to-end forward pass tests
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