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TorchANI

anineural-potentialpytorchatomisticopen-source-code
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PyTorch implementation of ANI neural network potentials for atomistic modeling.

Citation: aiqm/torchani. Open-source code repository. https://github.com/aiqm/torchani

Acknowledgement: Curated by MaterialsAtlas Open Resources from public project metadata and maintainer repositories.

TypeCode
DomainMachine-learning interatomic potentials
LicenseNot specified
Contributorsaiqm