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cs.LG2025
Towards a Generalizable AI for Materials Discovery: Validation through Immersion Coolant Screening
Hyunseung Kim, Dae-Woong Jeong, Changyoung Park +11
Artificial intelligence (AI) has emerged as a powerful accelerator of materials discovery, yet most existing models remain problem-specific, requiring additional data collection an…
cs.LG2025★ 2 cited
Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization
Chanhui Lee, Hanbum Ko, Yuheon Song +6
Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Larg…