Shypd.aiThe largest open index of AI toolstorchani is an open-source library for training and developing neural network interatomic potentials, specifically ANI-style models. It supports research in molecular simulations and computational chemistry.
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torchani is an open-source library designed for researchers and developers in molecular simulations and computational chemistry. It provides tools for training and developing ANI-style neural network interatomic potentials, which are crucial for accurate and efficient molecular dynamics simulations. The library is maintained by the Roitberg group and offers a robust framework for creating and utilizing these advanced potentials. Its open-source nature fosters collaboration and allows for customization, making it a valuable resource for academic and industrial research.
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