Welcome to my GitHub profile! I'm a passionate chemist with a unique combination of expertise in medicinal chemistry and computer science. Here's a bit about me:
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🎓 Education
- Ph.D. in Organic Chemistry (Brandeis University)
- M.S. in Computer Science (Georgia Tech OMSCS)
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💼 Professional Experience
- Medicinal Chemist (1 year): Designed and synthesized small molecules for anti-inflammatory drug discovery.
- Analytical Chemist (2 years): Performed analytical method development and quality control for oncology drugs.
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🤖 Current Focus
- Exploring deep learning and artificial intelligence to tackle challenges in computational chemistry and drug discovery.
- Building tools and models for molecular property prediction, virtual screening, and generative chemistry.
- Chemistry: Organic synthesis, drug design, structure-activity relationships (SAR), analytical techniques (NMR, HPLC, MS).
- Programming & Tools: Python, Java, SQL, TensorFlow, PyTorch, NumPy, Pandas, RDKit, DeepChem.
- Data Science & AI: Machine learning, deep learning, data visualization, cheminformatics.
- Platforms: Git, Jupyter Notebook, Linux, Docker.
- Deep Learning for Medicinal Chemistry: Applying neural networks for molecule generation, property prediction, and activity optimization.
- Open-Source Contributions: Developing and contributing to cheminformatics libraries and tools.
- Portfolio Projects:
- To be updated
- 📧 Email: bokaixu001@gmail.com
Feel free to explore my repositories, fork projects, and reach out if you'd like to collaborate or chat about computational chemistry and AI. Let's innovate together! 🚀