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| title: README |
| emoji: 📉 |
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| # DeepYoke AI Lab |
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| ## 🚀 Our Vision |
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| 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. |
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| 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. |
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| ## 🌟 Research Focus |
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| ### 🧬 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 |
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| ### 🤖 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 |
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| ### 📊 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 |
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| ## 🏆 Featured Projects |
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| ### 🧪 ToxiMol |
| A comprehensive benchmark for molecular toxicity repair, evaluating the capabilities of Multimodal Large Language Models in structure-level molecular detoxification. |
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| **[📊 Dataset](https://huggingface.co/datasets/DeepYoke/ToxiMol-benchmark)** | **[📄 Paper](https://arxiv.org/abs/2506.10912)** | **[🔬 Code](https://github.com/DeepYoke/ToxiMol)** |
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| *Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?* |
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| ### 🔬 Upcoming Projects |
| Coming Soon... |
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| <div align="center"> |
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| *"Where algorithms meet atoms, where intelligence illuminates discovery, where language bridges knowledge and practice - this is DeepYoke."* |
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| **Coding the Future of Science, Illuminating Tomorrow with Wisdom** |
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| </div> |
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