OUnke

GoogleBerlin, Germany

Pinned Repositories

e3x
E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
Language:Python79 5 15
denspart
Atoms-in-molecules density partitioning schemes based on stockholder recipe
Language:Python0 0 00
grid
Python library for numerical (molecular) integration, interpolation, and differentiation.
Language:Python0 0 00
SpookyNet
Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
Language:Python66 5 413

OUnke's Repositories

OUnke/SpookyNet
Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
Language:Python66 5 413
OUnke/denspart
Atoms-in-molecules density partitioning schemes based on stockholder recipe
Language:Python0 0 00
OUnke/grid
Python library for numerical (molecular) integration, interpolation, and differentiation.
Language:Python0 0 00