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Update readme for version 4
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PatReis committed Jan 5, 2024
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<img src="https://github.com/aimat-lab/gcnn_keras/blob/master/docs/source/_static/icon.svg" height="80"/>
</p>

> [!IMPORTANT]
> The versions of kgcnn<=3.1.0 were focused on ragged tensors of tensorflow.
> The current main branch is developed for Keras 3.0 and kgcnn version 4.0.
> Please use last release of 3.1.0 for previous version of kgcnn.
>
> We hope that all hyperparamter for models will also transfer to kgcnn 4.0.
> You only have to add `input_tensor_type: "ragged"` to your model config.

[General](#general) | [Requirements](#requirements) | [Installation](#installation) | [Documentation](#documentation) | [Implementation details](#implementation-details)
| [Literature](#literature) | [Data](#data) | [Datasets](#datasets) | [Training](#training) | [Issues](#issues) | [Citing](#citing) | [References](#references)
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Focus of [kgcnn](kgcnn) is (batched) graph learning for molecules [kgcnn.molecule](kgcnn/molecule) and materials [kgcnn.crystal](kgcnn/crystal).
If you want to get in contact, feel free to [discuss](https://github.com/aimat-lab/gcnn_keras/discussions).

Note that kgcnn>=4.0.0 requires keras>=3.0.0. Previous versions of kgcnn were focused on ragged tensors of tensorflow, for which
hyperparameter for models should also transfer to kgcnn 4.0 by adding `input_tensor_type: "ragged"` and checking the order and *dtype* of inputs.

<a name="requirements"></a>
# Requirements

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