Graph Machine Learning
Birder
chemistry
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Updating arxiv link.

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  1. README.md +6 -6
README.md CHANGED
@@ -26,7 +26,7 @@ We provide weights for mimicking the temporal evolution of three different syste
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  > **_Note_:**
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  > We provide each model based on two different O(3) backends: [e3nn](https://github.com/e3nn/e3nn) and [cuEquivariance](https://docs.nvidia.com/cuda/cuequivariance/). Choose the state dictionary and config.yaml dependent on whether you have CUDA and cuEquivariance installed. Please note that depending on the device used to initialize a model with the cuEquivariance backend, some parameter names may differ.
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- Below we provide an overview of our architecture. For more information we refer to our [preprint](https://arxiv.org/) and [code](https://github.com/IBM/trajcast).
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  <p align="center">
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  <img src="arch.svg">
@@ -42,14 +42,14 @@ Below we provide an overview of our architecture. For more information we refer
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  If you decide to use this dataset, please consider citing our preprint
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  ```
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- @misc{Thiemann2025Force-Free,
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  title={Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks},
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- author={Thiemann, Fabian L. and Reschützegger, Thiago, and Esposito, Massimiliano and Taddese, Tseden and Olarte-Plata, Juan D. and Martelli, Fausto},
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  year={2025},
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- eprint={...},
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  archivePrefix={arXiv},
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- primaryClass={...},
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- url={https://arxiv.org/...},
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  }
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  ```
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  > **_Note_:**
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  > We provide each model based on two different O(3) backends: [e3nn](https://github.com/e3nn/e3nn) and [cuEquivariance](https://docs.nvidia.com/cuda/cuequivariance/). Choose the state dictionary and config.yaml dependent on whether you have CUDA and cuEquivariance installed. Please note that depending on the device used to initialize a model with the cuEquivariance backend, some parameter names may differ.
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+ Below we provide an overview of our architecture. For more information we refer to our [preprint](https://www.arxiv.org/abs/2503.23794) and [code](https://github.com/IBM/trajcast).
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  <p align="center">
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  <img src="arch.svg">
 
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  If you decide to use this dataset, please consider citing our preprint
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  ```
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+ @misc{thiemann2025Force-Free,
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  title={Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks},
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+ author={Fabian L. Thiemann and Thiago Reschützegger and Massimiliano Esposito and Tseden Taddese and Juan D. Olarte-Plata and Fausto Martelli},
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  year={2025},
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+ eprint={2503.23794},
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  archivePrefix={arXiv},
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+ primaryClass={physics.comp-ph},
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+ url={https://arxiv.org/abs/2503.23794},
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  }
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  ```
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