Run any ALIGNN pretrained model via POST /alignn/predict with a model parameter and CIF file input. Models span energetics, electronic structure, mechanical properties, thermoelectrics, superconductivity, magnetism, dielectrics, catalysis, MOFs, and molecular properties. Use GET /alignn/models to list options.
Exploring the intersection of AI and materials science: crystal generation, property prediction, and open models.
50+ pretrained graph neural network models for predicting materials properties from a CIF file. Covers energetics, band gaps, mechanical properties, thermoelectrics, superconductivity, catalysis, MOFs, and more.