/tools/ani-1xnr
ani-1xnr
atomistic-ml/ani-1xnr
21 stars4 forksAdded February 5, 2026
summary
The ANI-1xnr repository provides a machine learning model for interatomic potentials in condensed-phase reactive chemistry. It includes companion data and a model that can be utilized for molecular simulations and property predictions in chemistry.
description
Machine learning interatomic potential for condensed-phase reactive chemistry
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