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MD-HIT: Machine learning for material property prediction with dataset redundancy control

Computer Science

MD-HIT: Machine learning for material property prediction with dataset redundancy control

Q. Li, N. Fu, et al.

Discover how Qin Li, Nihang Fu, Sadman Sadeed Omee, and Jianjun Hu tackle the challenge of redundancy in materials datasets. Their innovative MD-HIT algorithm offers a fresh perspective on machine learning performance evaluations in materials science, ensuring more realistic outcomes in formation energy and band gap predictions.

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