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API for first-principles calculations and properties

Interactive browser visualizations for materials science, by @janosh

Random bulk crystal generation with PyXtal and Orb v3

API for molecular calculations using g-XTB

is a text-guided diffusion model for crystal structure generation. Generate structures from text descriptions, target compositions, or explore chemical systems.

API for relaxing crystal structures and calculating thermodynamic stability using machine learning interatomic potentials like Orb. All compute-intensive operations are processed asynchronously with results returned via webhooks.

is a generative model for inorganic materials design that can be fine-tuned to steer the generation towards a wide range of property constraints.

is a model that generates crystal structures from chemical compositions.