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1. DOSTransformer DOSTransformer Public

   The official source code for [2023 NeurIPS] " Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer"

   Python 30 2

2. Retrieval-Retro Retrieval-Retro Public

   The official source code for [2024 NeurIPS] "Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge"

   Python 36 5

3. IR-Agent IR-Agent Public

   The official source code for [2026 ICLR] "IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra"

   Python 11

4. MSP-LLM-Official MSP-LLM-Official Public

   The official source code for "MSP-LLM: A Unified Large Language Model Framework for Complete Material Synthesis Planning"

   Python 4