Add advanced QSAR features#2
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… tuning - Added Morgan fingerprint generation to PreprocessingAgent (using modern rdFingerprintGenerator). - Added support for GradientBoostingRegressor and SVR in ModelBuilderAgent. - Added hyperparameter tuning with GridSearchCV in ModelBuilderAgent. - Updated main.py to expose new features via CLI arguments (--descriptors, --model, --tune).
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Improved the QSAR/QSPR system by adding:
PR created automatically by Jules for task 275059687226191919 started by @Abmanna