omron-sinicx/crystalformer
The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)
This tool helps materials scientists and researchers predict various properties of crystalline structures. By inputting crystallographic data, it can output predictions for properties like formation energy, band gap, and bulk modulus. It's designed for those who work with solid-state materials and need to efficiently evaluate material characteristics without extensive lab work.
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Use this if you need to predict properties of periodic crystal structures, such as formation energy or band gap, using existing structural data.
Not ideal if you are working with amorphous materials or need predictions for non-structural properties.
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Language
Python
License
MIT
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Last pushed
Mar 08, 2025
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