Key Responsibilities l Data acquisition, Curation & Analysis: Source data from public, commercial, and proprietary databases. Perform rigorous cleaning, de-duplication, normalization, and pre- processing to generate AI-ready datasets. Critically document and communicate data provenance, underlying assumptions, and limitations to ensure transparency and re- producibility. l Model Development & Optimization: Develop and refine ML/DL models（Transformer, diffusion model etc.） based on solid methodological principles, possessing the capability to fine-tune them for optimal performance. Focus on translating outcomes into biologically and chemically relevant insights for biological/medicinal chemistry and AI applications. Experience in molecular property and conformation prediction is a major asset。 l Technical Collaboration & Support: Operate effectively within a cross-functional team; understand stakeholder requirements and translate fluently between the domain (biology/chemistry) and technical (CS/ML) sides; explain methods and results at a principled, first-principles level. l AI Agent & Workflow Development：Design and develop AI-agent workflows capable of automating scientific reasoning, literature mining, target evaluation, hypothesis generation, and experimental design. Build multi-agent systems integrating LLMs, scientific databases, computational chemistry tools, and internal knowledge repositories. Qualifications • Master’s degree or Ph.D. in Computer Science, Artificial Intelligence, Computational Biology, Bioinformatics, Cheminformatics, Computational Chemistry, Applied Mathematics, or related disciplines.

Qualifications • Master’s degree or Ph.D. in Computer Science, Artificial Intelligence, Computational Biology, Bioinformatics, Cheminformatics, Computational Chemistry, Applied Mathematics, or related disciplines. • 2+ years of industry or equivalent academic research experience in AI/ML for life sciences, drug discovery, or computational biology. • Strong programming skills in Python and/or R, plus SQL (MySQL), Bash, and experience working in HPC environments; additional languages welcome. • Demonstrated experience delivering bio- or chemistry-related ML/DL projects, ideally as the lead. • Proven ability to communicate with both domain-only (biology/chemistry) and technical (CS/ML/AI) experts, explaining methods at the principle level