kgcnn v3.0.0
Major refactoring of kgcnn layers and models.
We try to provide the most important layers for graph convolution as kgcnn.layers
with ragged tensor representation.
As for literature models only input and output is matched with kgcnn
.
- Move
kgcnn.layers.conv
tokgcnn.literature
. - Refactored all graph methods in
graph.methods
. - Moved
kgcnn.mol.*
andkgcnn.moldyn.*
intokgcnn.molecule
- Moved
hyper
intotrainig
- Updated
crystal
.