An evaluation framework for machine learning models simulating high-throughput materials discovery.
GUI for running simulations with universal machine learning interatomic potentials (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET))
The Orchestrator is an integrated software package for building, training, testing, augmenting, running, and analyzing interatomic potentials (IAPs) and their simulations.
Run machine-learning potentials using VASP style inputs.
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