/tools/orb-models

orb-models

orbital-materials/orb-models

534 stars71 forksPythonAdded February 4, 2026
summary

The 'orb-models' repository offers pretrained forcefield models designed for atomic simulations, enabling users to predict molecular properties and perform molecular dynamics simulations. It supports various molecular systems, including metal complexes and biomolecules, and allows for fine-tuning with custom datasets.

description

ORB forcefield models from Orbital Materials

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