/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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