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  1. Fine-tuned-Perovs-IAP-for-Unified-Perovskite-Structure-Optimization Fine-tuned-Perovs-IAP-for-Unified-Perovskite-Structure-Optimization Public

    Fine-tuning M3GNet-IAP on Mannodi group HT-DFT dataset

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  2. Multi-fidelity-screening-of-perovskite-photocatalysts Multi-fidelity-screening-of-perovskite-photocatalysts Public

    Jupyter Notebook 2 1

  3. Hardness-estimation-using-Genetic-Programming Hardness-estimation-using-Genetic-Programming Public

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  4. Activation-steering-for-XRD Activation-steering-for-XRD Public

    Python

  5. LLM4Chem-Explainable-synthesis LLM4Chem-Explainable-synthesis Public

    Forked from yicao-elina/LLM4Chem-Explainable-synthesis

    Python

  6. xrd_simulator xrd_simulator Public

    Forked from FABLE-3DXRD/xrd_simulator

    Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.

    Python