7 citations · 11 across the 4 of their papers we have counts for
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cs.LG2025★ 7 cited
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials
Chaitanya K. Joshi, Xiang Fu, Yi-Lun Liao +4
Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems -- such as molecules and materials -- the ge…
cs.LG2024★ 4 cited
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
Yi-Lun Liao, Tess Smidt, Muhammed Shuaibi +1
Understanding the interactions of atoms such as forces in 3D atomistic systems is fundamental to many applications like molecular dynamics and catalyst design. However, simulating…