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Update README.md (#294)
* Update README.md * Update index.rst
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README.md

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@@ -86,6 +86,31 @@ CUDA_VISIBLE_DEVICES=0,1 torchmd-train --conf torchmd-net/examples/ET-QM9.yaml.y
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If you use TorchMD-NET in your research, please cite the following papers:
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#### Main reference
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```
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@misc{pelaez2024torchmdnet,
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title={TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations},
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author={Raul P. Pelaez and Guillem Simeon and Raimondas Galvelis and Antonio Mirarchi and Peter Eastman and Stefan Doerr and Philipp Thölke and Thomas E. Markland and Gianni De Fabritiis},
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year={2024},
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eprint={2402.17660},
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archivePrefix={arXiv},
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primaryClass={cs.LG}
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}
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```
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#### TensorNet
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```
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@inproceedings{simeon2023tensornet,
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title={TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials},
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author={Guillem Simeon and Gianni De Fabritiis},
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booktitle={Thirty-seventh Conference on Neural Information Processing Systems},
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year={2023},
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url={https://openreview.net/forum?id=BEHlPdBZ2e}
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}
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```
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#### Equivariant Transformer
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```
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@inproceedings{
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tholke2021equivariant,
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}
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```
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#### TensorNet
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```
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@inproceedings{simeon2023tensornet,
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title={TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials},
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author={Guillem Simeon and Gianni De Fabritiis},
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booktitle={Thirty-seventh Conference on Neural Information Processing Systems},
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year={2023},
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url={https://openreview.net/forum?id=BEHlPdBZ2e}
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}
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```
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## Developer guide
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### Implementing a new architecture

docs/source/index.rst

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If you use TorchMD-NET in your research, please cite the following papers:
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Main reference
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~~~~~~~~~
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.. code-block:: bibtex
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@misc{
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pelaez2024torchmdnet,
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title={TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations},
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author={Raul P. Pelaez and Guillem Simeon and Raimondas Galvelis and Antonio Mirarchi and Peter Eastman and Stefan Doerr and Philipp Thölke and Thomas E. Markland and Gianni De Fabritiis},
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year={2024},
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eprint={2402.17660},
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archivePrefix={arXiv},
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primaryClass={cs.LG}
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}
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TensorNet
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~~~~~~~~~
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.. code-block:: bibtex
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@inproceedings{
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simeon2023tensornet,
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title={TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials},
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author={Guillem Simeon and Gianni De Fabritiis},
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booktitle={Thirty-seventh Conference on Neural Information Processing Systems},
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year={2023},
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url={https://openreview.net/forum?id=BEHlPdBZ2e}
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}
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Equivariant Transformer
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~~~~~~~~~~~~~~
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.. code-block:: bibtex
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month = sep
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}
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TensorNet
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~~~~~~~~~
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.. code-block:: bibtex
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@inproceedings{
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simeon2023tensornet,
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title={TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials},
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author={Guillem Simeon and Gianni De Fabritiis},
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booktitle={Thirty-seventh Conference on Neural Information Processing Systems},
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year={2023},
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url={https://openreview.net/forum?id=BEHlPdBZ2e}
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}
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.. toctree::
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:hidden:

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