15 citations · 16 across the 4 of their papers we have counts for
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cs.LG2025
Learning 3D Anisotropic Noise Distributions Improves Molecular Force Field Modeling
Xixian Liu, Rui Jiao, Zhiyuan Liu +6
Coordinate denoising has emerged as a promising method for 3D molecular pretraining due to its theoretical connection to learning molecular force field. However, existing denoising…
cs.LG2024★ 15 cited
Space Group Constrained Crystal Generation
Rui Jiao, Wenbing Huang, Yu Liu +2
Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods…