Sebastian Dick's repositories
torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers
MIT000
SpookyNet
Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
MIT000
PYSEQM
an interface to semi-empirical quantum chemistry methods implemented with pytorch
NOASSERTION000
SchNet
SchNet - a deep learning architecture for quantum chemistry
MIT000