5 projects
kernelforge-cuda
CUDA extensions for KernelForge (Linux)
kernelforge
Optimized Kernels for ML
qmllib
Python/Fortran toolkit for representation of molecules and solids for machine learning of properties of molecules and solids.
rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
qml
Quantum Machine Learning
