/tools/CrystalFormer

CrystalFormer

deepmodeling/CrystalFormer

132 stars20 forksJupyter NotebookAdded February 5, 2026
summary

CrystalFormer is a transformer-based autoregressive model that generates crystalline materials while considering space group symmetries. It utilizes reinforcement learning for fine-tuning and can produce stable crystal structures based on specified prototypes.

description

Space Group Informed Transformer for Crystalline Materials Generation

topics

autoregressivecrystalgenerative-modeltransformerreinforcement-finetuning

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