An evaluation framework for machine learning models simulating high-throughput materials discovery.
GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, Allegro, MatterSim, UPET, GRACE, UMA)
Meta's UMA and Orbital Materials' Orb-v3/OrbMol interatomic potential models, running on Tenstorrent hardware.
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.
SO(3)-equivariant interatomic potential (MLIP) using per-edge SO(2) features
Loads Crystallography Open Database structures, filters them for CHGNet, and streams live relaxations after substitution, vacancy or strain edits. 27.8% of COD qualifies.
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