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PROTAC-Degradation-Predictor / protac_degradation_predictor

2 contributors

History: 36 commits

ribesstefano's picture

Fixed issue with duplicates + Experiments now rely on predefined datasets + Added experiments on simple embeddings

251060c 7 months ago

data
started testing package code 10 months ago
models
Fixed some tests and added XGBoost to the API 7 months ago
__init__.py

709 Bytes

Added support for listing available dataset data 9 months ago
config.py

1.15 kB

Added FP search + Added train metrics to logs 10 months ago
data_utils.py

4.4 kB

Added support for listing available dataset data 9 months ago
optuna_utils.py
21.6 kB

Fixed issue with duplicates + Experiments now rely on predefined datasets + Added experiments on simple embeddings 7 months ago
optuna_utils_xgboost.py
13.3 kB

Fixed bug in hparam tuning for XGBoost + added additional metrics to XGBoost reports 7 months ago
protac_dataset.py

29.4 kB

Fixed issue with duplicates + Experiments now rely on predefined datasets + Added experiments on simple embeddings 7 months ago
protac_degradation_predictor.py
6.69 kB

Fixed XGBoost prediction and added initial comparison of DNN and XGBoost distributions 7 months ago
pytorch_models.py
26.7 kB

Fixed issue with duplicates + Experiments now rely on predefined datasets + Added experiments on simple embeddings 7 months ago
sklearn_models.py

7.81 kB

started testing package code 10 months ago