├── Example use of framework with GP type surrogate models.ipynb ├── Example use of framework with RF type surrogate models.ipynb ├── LICENSE ├── Manifold Visualization.ipynb ├── Performance Visualization.ipynb ├── README.md ├── TopCount_collection_GP_Matern52_LCB2.npy ├── datasets ├── AgNP_dataset.csv ├── AutoAM_dataset.csv ├── Crossed barrel_dataset.csv ├── P3HT_dataset.csv └── Perovskite_dataset.csv └── requirements.txt /Example use of framework with GP type surrogate models.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/Example use of framework with GP type surrogate models.ipynb -------------------------------------------------------------------------------- /Example use of framework with RF type surrogate models.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/Example use of framework with RF type surrogate models.ipynb -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/LICENSE -------------------------------------------------------------------------------- /Manifold Visualization.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/Manifold Visualization.ipynb -------------------------------------------------------------------------------- /Performance Visualization.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/Performance Visualization.ipynb -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/README.md -------------------------------------------------------------------------------- /TopCount_collection_GP_Matern52_LCB2.npy: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/TopCount_collection_GP_Matern52_LCB2.npy -------------------------------------------------------------------------------- /datasets/AgNP_dataset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/datasets/AgNP_dataset.csv -------------------------------------------------------------------------------- /datasets/AutoAM_dataset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/datasets/AutoAM_dataset.csv -------------------------------------------------------------------------------- /datasets/Crossed barrel_dataset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/datasets/Crossed barrel_dataset.csv -------------------------------------------------------------------------------- /datasets/P3HT_dataset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/datasets/P3HT_dataset.csv -------------------------------------------------------------------------------- /datasets/Perovskite_dataset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/PV-Lab/Benchmarking/HEAD/datasets/Perovskite_dataset.csv -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- 1 | 2 | scikit-learn 3 | numpy 4 | matplotlib 5 | GPy 6 | pyDOE 7 | pandas 8 | scipy 9 | --------------------------------------------------------------------------------