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1. VASP_Skills VASP_Skills Public

   A specialized toolkit of Python-based 'skills' designed for LLM agents to autonomously configure, execute, and troubleshoot VASP calculations. Features include automated input generation, HPC job m…

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2. mattergen mattergen Public

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3. cgcnn cgcnn Public

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4. Zintl_CGCNN Zintl_CGCNN Public

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5. Shockley-Queisser Shockley-Queisser Public

   Forked from sidihamady/Shockley-Queisser

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6. cdvae cdvae Public

   Forked from txie-93/cdvae

   An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

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