Ryan-Rhys / FlowMO

Library for training Gaussian Processes on Molecules

Ryan-Rhys/FlowMO Issues

I recommend counted atom pairs as a molecular encoder
Updated 10 months ago
Remove deprecated `AffineScalar` bijector
Updated 2 years ago4
The appearance of full nan
Updated 3 years ago4
String kernels can exploit biases in SMILES string format, skewing performance metrics
Updated 4 years ago4