3 papers
physics.chem-ph2026
Suiren-1.0 Technical Report: A Family of Molecular Foundation Models
Junyi An, Xinyu Lu, Yun-Fei Shi +5
We introduce Suiren-1.0, a family of molecular foundation models for the accurate modeling of diverse organic systems. Suiren-1.0 comprising three specialized variants (Suiren-Base…
cs.LG2026
A Pre-trained Reaction Embedding Descriptor Capturing Bond Transformation Patterns
Weiqi Liu, Fenglei Cao, Yuan Qi +1
With the rise of data-driven reaction prediction models, effective reaction descriptors are crucial for bridging the gap between real-world chemistry and digital representations. H…
cs.LG2025
Equivariant Spherical Transformer for Efficient Molecular Modeling
Junyi An, Xinyu Lu, Chao Qu +6
Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, hea…