arXiv:2606. 11243v1 Announce Type: new Abstract: De novo protein generation has transformative potential in therapeutic design, enzyme engineering, and synthetic biology.
By Chuanzhen Wang, Meade Cleti, Pete Jano
arXiv:2507. 08920v4 Announce Type: replace-cross Abstract: We introduce AMix-1, a powerful protein foundation model built on Bayesian Flow Networks and empowered by a systematic training methodology, encompassing pretraining scaling laws, emergent capability analysis, in-context learning mechanism, and test-time scaling algorithm.
By Changze Lv, Jiang Zhou, Siyu Long, Lihao Wang, Jiangtao Feng, Dongyu Xue, Yu Pei, Hao Wang, Zherui Zhang, Yuchen Cai, Zhiqiang Gao, Ziyuan Ma, Jiakai Hu, Chaochen Gao, Jingjing Gong, Yuxuan Song, Shuyi Zhang, Xiaoqing Zheng, Deyi Xiong, Lei Bai, Wanli Ouyang, Ya-Qin Zhang, Wei-Ying Ma, Bowen Zhou, Hao Zhou
arXiv:2607. 13155v1 Announce Type: new Abstract: Generative molecular models can support early drug discovery by proposing new candidate compounds de novo.
By Daria A. Ryabchenko (Ligand Pro, Moscow, Russia, Skolkovo Institute of Science and Technology, Artificial Intelligence Center, Moscow, Russia), Pavel Gurevich (Ligand Pro, Moscow, Russia, Skolkovo Institute of Science and Technology, Artificial Intelligence Center, Moscow, Russia), Shamil Kadyrov (Ligand Pro, Moscow, Russia), Daria Frolova (Ligand Pro, Moscow, Russia, Skolkovo Institute of Science and Technology, Artificial Intelligence Center, Moscow, Russia), Kseniia Fedisheva (Ligand Pro, Moscow, Russia), Sergei A. Nikolenko (Ligand Pro, Moscow, Russia), Alexander Shapeev (Ligand Pro, Moscow, Russia, Skolkovo Institute of Science and Technology, Artificial Intelligence Center, Moscow, Russia), Marina A. Pak (Ligand Pro, Moscow, Russia)
Foundation models for protein structure prediction remain unreliable on certain targets. External oracles can flag and correct these failures, but biological oracles are expensive, making oracle budget a critical constraint.
arXiv:2608. 12192v1 Announce Type: new Abstract: Foundation models for protein structure prediction remain unreliable on certain targets.
By Aleksandra Kalisz, Jack Simons, Krisztina Sinkovics, Noam Ghenassia, Shikha Surana, Henry Moss, Paul Duckworth
arXiv:2602. 22822v3 Announce Type: replace Abstract: Tandem mass spectrometry (MS/MS) is central to small molecule identification, but current deep learning systems for spectrum prediction still remain difficult to evaluate and deploy in practice.
By Yunhua Zhong, Yixuan Tang, Yifan Li, Pan Liu, Zhiwen Yang, Jie Yang, Jun Xia