├── README.md ├── lib ├── __init__.py ├── acquisition.py ├── data_manager.py ├── helpers.py └── models │ ├── __init__.py │ ├── bbb.py │ ├── ensemble.py │ ├── gnn.py │ ├── nn.py │ └── nn_base.py ├── opt_chem.py ├── opt_pc.py ├── opt_scatter.py ├── pc ├── DOS_GGR.py └── level_set.py ├── requirements.txt ├── requirements_chem.txt ├── requirements_photonics.txt ├── scattering ├── __init__.py ├── bessel.py ├── calc_spectrum.py └── cross_section.py └── spektral ├── __init__.py ├── brain.py ├── chem.py ├── datasets ├── __init__.py ├── citation.py ├── delaunay.py ├── graphsage.py ├── mnist.py ├── qm9.py └── tud.py ├── layers ├── __init__.py ├── base.py ├── convolutional.py ├── ops.py └── pooling.py └── utils ├── __init__.py ├── conversion.py ├── convolution.py ├── data.py ├── io.py ├── logging.py ├── misc.py └── plotting.py /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/samuelkim314/DeepBO/HEAD/README.md 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