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20242026
most citedUni-Mol2: Exploring Molecular Pretraining Model at Scale

8 citations · 20 across the 21 of their papers we have counts for

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12 papers · 1 filter

cs.AI2025

Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale

Linfeng Zhang, Siheng Chen, Yuzhu Cai +46

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assi…

cs.AI2025

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

Tingjia Miao, Wenkai Jin, Jinxin Tan +22

Advances in LLM reasoning and tool use have enabled agentic science, yet frontier theoretical and computational physics remains challenging because research requires deep domain ex…

cs.AI2025

Inverse Knowledge Search over Verifiable Reasoning: Synthesizing a Scientific Encyclopedia from a Long Chains-of-Thought Knowledge Base

Yu Li, Yuan Huang, Tao Wang +19

Most scientific materials compress reasoning, presenting conclusions while omitting the derivational chains that justify them. This compression hinders verification by lacking expl…

physics.chem-ph2025

Uni-Mol3: A Multi-Molecular Foundation Model for Advancing Organic Reaction Modeling

Lirong Wu, Junjie Wang, Zhifeng Gao +6

Organic reaction, the foundation of modern chemical industry, is crucial for new material development and drug discovery. However, deciphering reaction mechanisms and modeling mult…

cs.LG2025

SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction

Haitao Lin, Junjie Wang, Zhifeng Gao +5

The essence of a chemical reaction lies in the redistribution and reorganization of electrons, which is often manifested through electron transfer or the migration of electron pair…

cs.AI20251 cited

SciMaster: Towards General-Purpose Scientific AI Agents, Part I. X-Master as Foundation: Can We Lead on Humanity's Last Exam?

Jingyi Chai, Shuo Tang, Rui Ye +8

The rapid advancements of AI agents have ignited the long-held ambition of leveraging them to accelerate scientific discovery. Achieving this goal requires a deep understanding of…