8 citations · 8 across the 3 of their papers we have counts for
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cs.LG2024
Enhancing Molecular Property Prediction with Auxiliary Learning and Task-Specific Adaptation
Vishal Dey, Xia Ning
Pretrained Graph Neural Networks have been widely adopted for various molecular property prediction tasks. Despite their ability to encode structural and relational features of mol…
cs.LG2023★ 8 cited
Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models
Ziqi Chen, Bo Peng, Srinivasan Parthasarathy +1
Ligand-based drug design aims to identify novel drug candidates of similar shapes with known active molecules. In this paper, we formulated an in silico shape-conditioned molecule…