General Information¶
The package in kgcnn contains several layer classes to build up graph convolution models in Keras with Tensorflow, PyTorch or Jax as backend. Some models are given as an example in literature. Focus of kgcnn is (batched) graph learning for molecules kgcnn.molecule and materials kgcnn.crystal. Below you can find explanations and information on how to use kgcnn . See Reference under Package Content for code documentation.
Package Content¶
- kgcnn package
- Subpackages
- kgcnn.backend package
- kgcnn.crystal package
- kgcnn.data package
- kgcnn.graph package
- kgcnn.initializers package
- kgcnn.io package
- kgcnn.layers package
- kgcnn.literature package
- kgcnn.losses package
- kgcnn.metrics package
- kgcnn.models package
- kgcnn.molecule package
- kgcnn.ops package
- kgcnn.optimizers package
- kgcnn.training package
- kgcnn.utils package
- Module contents
- Subpackages