2025 Poster "molecular representation learning" Papers
6 papers found
BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
Evan Antoniuk, Shehtab Zaman, Tal Ben-Nun et al.
NEURIPS 2025posterarXiv:2505.01912
6
citations
DenoiseVAE: Learning Molecule-Adaptive Noise Distributions for Denoising-based 3D Molecular Pre-training
Yurou Liu, Jiahao Chen, Rui Jiao et al.
ICLR 2025poster
5
citations
Learning Molecular Representation in a Cell
Gang Liu, Srijit Seal, John Arevalo et al.
ICLR 2025posterarXiv:2406.12056
12
citations
On the Expressive Power of Sparse Geometric MPNNs
Yonatan Sverdlov, Nadav Dym
ICLR 2025posterarXiv:2407.02025
6
citations
Self-Supervised Diffusion Models for Electron-Aware Molecular Representation Learning
Gyoung S. Na, Chanyoung Park
ICLR 2025poster
Symmetry-Preserving Conformer Ensemble Networks for Molecular Representation Learning
Yanqiao Zhu, Yidan Shi, Yuanzhou Chen et al.
NEURIPS 2025poster