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1. MACEDefect MACEDefect Public

   Python

2. 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

   Jupyter Notebook 7 2

3. Auto-MBE-Fe3Sn Auto-MBE-Fe3Sn Public

   LLM agent for automated RHEED analysis, MBE film quality/stoichiometry predictions, and design of experiments via active learning based on experimental data for Fe3Sn thin-films.

   Python

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

   Jupyter Notebook 3 1

5. Activation-steering-for-XRD Activation-steering-for-XRD Public

   Python