arXiv:2607. 20323v1 Announce Type: new Abstract: Nanopore devices have emerged as powerful tools for single-molecule sensing, with potential for rapid, portable diagnostics.
By Sandro Kuppel, Julian Ho{\ss}bach, Samuel Tovey, Christian Holm
arXiv:2608. 02688v1 Announce Type: cross Abstract: Phenotypic drug discovery enables the discovery of functional relationships between molecular structures and cellular responses.
By Xuan Lin, Jingyu Sheng, Tengfei Ma, Li Sun, Dapeng Xiong
arXiv:2607. 20551v1 Announce Type: cross Abstract: Effective molecular representation learning is crucial for accurate molecular property prediction.
By Tianming Han, Li Zhang, Qi Zhao
arXiv:2511. 19264v2 Announce Type: replace-cross Abstract: Generative Flow Networks (GFlowNets) construct molecules through sequential decisions, but their internal policies remain opaque, limiting adoption in drug discovery, where chemists need interpretable rationales for proposed structures.
By Amirtha Varshini A S, Duminda S. Ranasinghe, Hok Hei Tam
arXiv:2607. 12380v1 Announce Type: new Abstract: Small molecules, crystals, and proteins all reduce to atoms in 3D space, yet their generative pipelines remain fragmented across domains, each with its Small molecules, crystals, and proteins all reduce to atoms in 3D space, yet their generative pipelines remain fragmented across domains, each with its own graph, equivariant, or frame-based architecture.
By Yuxuan Ren, Fan Yang, Jianhua Yao, Yatao Bian
arXiv:2607. 28553v1 Announce Type: new Abstract: Predicting the 3D structures of atomic systems is fundamental to advancing material science and drug discovery.
By Shentong Mo, Yatao Bian