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microsoft/mattergen

A generative deep learning model for designing inorganic materials across the periodic table with controllable property constraints.

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MatterGen implements a generative model that synthesizes novel inorganic crystal structures across the entire periodic table. The model can be fine-tuned to steer generation toward specific property targets such as stability, electronic properties, or mechanical characteristics. It provides pre-trained checkpoints, training pipelines, and evaluation tools for researchers working on materials discovery and computational chemistry.

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