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- torchani Public
TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained by the Roitberg group.
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aiqm/torchani-test-docs's past year of commit activity - ANI1x_datasets Public
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
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aiqm/Scripts_for_ani2x_jtct_paper's past year of commit activity - EHM-ML Public
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aiqm/nnp-test-docs's past year of commit activity - ani-model-zoo Public
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aiqm/ani-model-zoo's past year of commit activity
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