.gitignore

*.pyc
catpred/uncertainty/__pycache__/uncertainty_predictor.cpython-312.pyc
catpred/uncertainty/__pycache__/uncertainty_evaluator.cpython-312.pyc
catpred/uncertainty/__pycache__/uncertainty_estimator.cpython-312.pyc
catpred/uncertainty/__pycache__/uncertainty_calibrator.cpython-312.pyc
catpred/uncertainty/__pycache__/__init__.cpython-312.pyc
catpred/train/__pycache__/train.cpython-312.pyc
catpred/train/__pycache__/run_training.cpython-312.pyc
catpred/train/__pycache__/predict.cpython-312.pyc
catpred/train/__pycache__/molecule_fingerprint.cpython-312.pyc
catpred/train/__pycache__/metrics.cpython-312.pyc
catpred/train/__pycache__/make_predictions.cpython-312.pyc
catpred/train/__pycache__/loss_functions.cpython-312.pyc
catpred/train/__pycache__/evaluate.cpython-312.pyc
catpred/train/__pycache__/cross_validate.cpython-312.pyc
catpred/train/__pycache__/__init__.cpython-312.pyc
catpred/models/__pycache__/transformer_models.cpython-312.pyc
catpred/models/__pycache__/mpn.cpython-312.pyc
catpred/models/__pycache__/model.cpython-312.pyc
catpred/models/__pycache__/ffn.cpython-312.pyc
catpred/models/__pycache__/__init__.cpython-312.pyc
catpred/models/.ipynb_checkpoints/model-checkpoint.py
catpred/features/__pycache__/utils.cpython-312.pyc
catpred/features/__pycache__/featurization.cpython-312.pyc
catpred/features/__pycache__/features_generators.cpython-312.pyc
catpred/features/__pycache__/__init__.cpython-312.pyc
catpred/data/__pycache__/utils.cpython-312.pyc
catpred/data/__pycache__/scaler.cpython-312.pyc
catpred/data/__pycache__/scaffold.cpython-312.pyc
catpred/data/__pycache__/esm_utils.cpython-312.pyc
catpred/data/__pycache__/data.cpython-312.pyc
catpred/data/__pycache__/cache_utils.cpython-312.pyc
catpred/data/__pycache__/__init__.cpython-312.pyc

# Generic Python/OS artifacts
__pycache__/
*.pyo
*.pyd
.DS_Store
*.egg-info/
.venv/
.ipynb_checkpoints/

# Local validation artifacts
.e2e-assets/
.e2e-tests/