Scientific QA

Building a working mental model of a protein typically requires weeks of reading, cross-referencing crystal and predicted structures, and inspecting ligand complexes, an effort that is slow, unevenly accessible, and often requires specialized computational skills. We introduce Speak to a Protein, a new capability that turns protein analysis into an interactive, multimodal dialogue with an expert co-scientist. The AI system retrieves and synthesizes relevant literature, structures, and ligand data; grounds answers in a live 3D scene; and can highlight, annotate, manipulate and see the visualization. It also generates and runs code when needed, explaining results in both text and graphics. We demonstrate these capabilities on relevant proteins, posing questions about binding pockets, conformational changes, or structure-activity relationships to test ideas in real time. Speak to a Protein reduces the time from question to evidence, lowers the barrier to advanced structural analysis, and enables hypothesis generation by tightly coupling language, code, and 3D structures. Speak to a Protein is freely accessible at https://open.playmolecule.org.

Despite rapid progress in large language models (LLMs), current QA benchmarks still overlook the core challenge of real-world scientific information seeking: synthesizing multimodal evidence scattered across multiple documents and structural formats. Existing QAs remain narrow in scope, relying on unimodal text and short-span reasoning that fail to capture the complexity of real information-seeking. We introduce DocHop-QA, a benchmark of 11,379 instances for evaluating multimodal, multi-document, multi-hop scientific QA. Built from publicly available PubMed articles, DocHop-QA incorporates textual passages, tables, and layout cues, enabling cross-document inference without explicit hyperlinks. To scale realistic QA construction, we develop an LLM-driven generation pipeline grounded in 11 scientific reasoning concepts, producing diverse and coherent question-answer pairs. To highlight the utility and versatility of the dataset, we propose a task-driven evaluation framework spanning four settings, including generative answering, multimodal evidence integration and structured index prediction. Experiments show that current models struggle with DocHop-QA's long-context, multi-evidence demands, establishing it as a rigorous testbed for advancing next-generation scientific QA systems.

Scientific literature question answering is a pivotal step towards new scientific discoveries. Recently, two-stage retrieval-augmented generated large language models (RAG-LLMs) have shown impressive advancements in this domain. Such a two-stage framework, especially the second stage (reranker), is particularly essential in the scientific domain, where subtle differences in terminology may have a greatly negative impact on the final factual-oriented or knowledge-intensive answers. Despite this significant progress, the potential and limitations of these works remain unexplored. In this work, we present a Scientific Rerank-oriented RAG Benchmark (SciRerankBench), for evaluating rerankers within RAG-LLMs systems, spanning five scientific subjects. To rigorously assess the reranker performance in terms of noise resilience, relevance disambiguation, and factual consistency, we develop three types of question-context-answer (Q-C-A) pairs, i.e., Noisy Contexts (NC), Semantically Similar but Logically Irrelevant Contexts (SSLI), and Counterfactual Contexts (CC). Through systematic evaluation of 13 widely used rerankers on five families of LLMs, we provide detailed insights into their relative strengths and limitations. To the best of our knowledge, SciRerankBench is the first benchmark specifically developed to evaluate rerankers within RAG-LLMs, which provides valuable observations and guidance for their future development.