Dependencies are Python 3, a recent PyTorch, numpy/scipy, tqdm, future and tensorboard.
Plotting with Matplotlib.
Implementation of the neural network is in the module regretnet.
To train and test auction networks, use the scripts train.py and test.py; sample_scripts.sh gives some examples of how to invoke these.
Pretrained models are in the model directory.
sk2torch sk2torch converts scikit-learn models into PyTorch modules that can be tuned with backpropagation and even compiled as TorchScript. Problems
Explaining why that molecule exmol is a package to explain black-box predictions of molecules. The package uses model agnostic explanations to help us
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