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1515TorchANI 2.0 is an open-source library that supports training, development, and research
1616of ANI-style neural network interatomic potentials. It was originally developed and is
17- currently maintained by the Roitberg group.
17+ currently maintained by the Roitberg group. For information and examples, please see the
18+ comprehensive [ documentation] ( https://aiqm.github.io/torchani/ ) .
1819
19- If you were using a previous version of TorchANI, and your code does not work with
20- TorchANI 2.0 check out the [ documentation ] ( https://aiqm.github.io/torchani-docs/ ) , there
21- are very few breaking changes, and most code should work with minimal modifications. If
20+ If you were using a previous version of TorchANI and your code does not work with
21+ TorchANI 2.0 check out the [ migration guide ] ( https://aiqm.github.io/torchani/migrating-to-2.html#torchani-migrating ) , there
22+ are very few breaking changes, most code should work with minimal modifications. If
2223you can't figure something out please open a GitHub issue, we are here to help!
2324
24- If you find a bug of TorchANI, or have some feature request, feel free to open an issue
25- on GitHub.
25+ If you find a bug of TorchANI, or have some feature request, also feel free to open a GitHub issue.
2626
2727TorchANI 2.0 is currently tested against PyTorch 2.5 and CUDA 12.4
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