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title: README
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# DeepYoke AI Lab

## 🚀 Our Vision

DeepYoke is dedicated to building bridges between intelligence and science, transforming complex scientific challenges into understandable and actionable intelligent solutions through cutting-edge multimodal AI technologies. We believe that true scientific breakthroughs emerge from deep interdisciplinary fusion and innovation.

Our mission is to democratize scientific discovery by making advanced AI tools accessible to researchers worldwide, accelerating the pace of innovation across multiple scientific domains.

## 🌟 Research Focus

### 🧬 AI for Science
- **Molecular Modeling & Drug Design** - Accelerating pharmaceutical research through intelligent molecular design
- **Structural Biology** - Understanding protein structures and functions with AI
- **Cheminformatics** - Bridging chemistry and computational intelligence  
- **Scientific Computing Acceleration** - Optimizing computational workflows for scientific discovery

### 🤖 Multimodal Intelligence
- **Multimodal Large Language Models** - Integrating vision, language, and scientific reasoning
- **Vision-Language Understanding** - Enabling AI to comprehend scientific diagrams and literature
- **Intelligent Scientific Literature Analysis** - Extracting insights from vast research repositories
- **Cross-modal Knowledge Fusion** - Synthesizing information across different data modalities

### 📊 Benchmark & Evaluation
- **Scientific AI Benchmarking** - Establishing rigorous evaluation standards for scientific AI
- **Dataset Construction & Standardization** - Creating high-quality, standardized scientific datasets
- **Evaluation Framework Development** - Building comprehensive assessment tools
- **Open Science Ecosystem** - Fostering collaborative research environments

## 🏆 Featured Projects

### 🧪 ToxiMol
A comprehensive benchmark for molecular toxicity repair, evaluating the capabilities of Multimodal Large Language Models in structure-level molecular detoxification.

**[📊 Dataset](https://huggingface.co/datasets/DeepYoke/ToxiMol-benchmark)** | **[📄 Paper](https://arxiv.org/abs/2506.10912)** | **[🔬 Code](https://github.com/DeepYoke/ToxiMol)**

*Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?*

### 🔬 Upcoming Projects
Coming Soon...

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*"Where algorithms meet atoms, where intelligence illuminates discovery, where language bridges knowledge and practice - this is DeepYoke."*

**Coding the Future of Science, Illuminating Tomorrow with Wisdom**

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