alchemical-kernel

There are 0 repository under alchemical-kernel topic.

• jakublala / alchemical-kernels

  Pytorch implementation of Alchemical Kernels from Phys. Chem. Chem. Phys., 2018,20, 29661-29668

  energy-predictionkernel-ridge-regressionsoapalchemical-kernelrascalineelpasolite
  Language:Python 1