相关论文: MolViBench: Evaluating LLMs on Molecular Vibe Codi…

Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a comprehensive benchmark designed to evaluate fundamental…

The advancement of large language models (LLMs) has catalyzed a paradigm shift from code generation assistance to autonomous coding agents, enabling a novel development methodology termed "Vibe Coding" where developers validate AI-generated…

Large language model-powered code agents are rapidly transforming software engineering, yet the security risks of their generated code have become a critical concern. Existing benchmarks have provided valuable insights, but they fail to…

Protein design aims to compose amino-acid sequences that fold into stable three-dimensional structures while satisfying targeted functional properties. The field is increasingly shifting toward vibe protein design, where a single model is…

Chemical reasoning inherently integrates visual, textual, and symbolic modalities, yet existing benchmarks rarely capture this complexity, often relying on simple image-text pairs with limited chemical semantics. As a result, the actual…

We present MolLingo, a multi-agent system that emulates the reasoning process of a chemist to automate molecular design. Existing LLM-based approaches either operate as standalone generative models without access to external tools or lack…

Large Language Models (LLMs) applied to code-related applications have emerged as a prominent field, attracting significant interest from both academia and industry. However, as new and improved LLMs are developed, existing evaluation…

Code-mixing, the practice of switching between languages within a conversation, poses unique challenges for traditional NLP. Existing benchmarks are limited by their narrow language pairs and tasks, failing to adequately assess large…

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative…

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug…

With the emergence of large language models (LLMs) and AI agent frameworks, the human-AI co-work paradigm known as Vibe Coding is changing how people code, making it more accessible and productive. In scientific research, where workflows…

The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep…

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

The rapid proliferation of Large Language Models (LLMs) has revolutionized AI-assisted code generation. This rapid development of LLMs has outpaced our ability to properly benchmark them. Prevailing benchmarks emphasize unit-test pass rates…

Large Language Models for code (code LLMs) have witnessed tremendous progress in recent years. With the rapid development of code LLMs, many popular evaluation benchmarks, such as HumanEval, DS-1000, and MBPP, have emerged to measure the…

Task automation has been greatly empowered by the recent advances in Large Language Models (LLMs) via Python code, where the tasks ranging from software engineering development to general-purpose reasoning. While current benchmarks have…

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

Writing code requires significant time and effort in software development. To automate this process, researchers have made substantial progress using Large Language Models (LLMs) for code generation. Many benchmarks like HumanEval and…

There is a growing interest in the role that LLMs play in chemistry which lead to an increased focus on the development of LLMs benchmarks tailored to chemical domains to assess the performance of LLMs across a spectrum of chemical tasks…

The emergence of Large Language Models (LLMs) has catalyzed a paradigm shift in programming, giving rise to "vibe coding", where users can build complete projects and even control computers using natural language instructions. This paradigm…