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950288/README.md

Hi, I'm Wang Jingtong 👋

Master's student at the Shanghai Institute of Materia Medica, working on AI-driven biomolecular modeling and drug discovery.

My research focuses on building unified computational approaches for understanding and designing biomolecular systems, spanning small molecules, proteins, and their interactions.

I'm particularly interested in:

  • 🧬 Biomolecular Modeling — unified 3D representations, molecular generation, protein–ligand interactions, and structure-based drug design.
  • 🤖 Machine Learning for Science — geometric deep learning, generative models, and scalable scientific AI.
  • 🛠️ Scientific Software — reliable, high-performance tools for cheminformatics, structural biology, and molecular visualization, with an emphasis on correctness and reproducibility.

I enjoy turning ideas into systems, and systems into tools people can actually use.

Somewhere between molecules, life, intelligence, and the cosmos, there is still a lot left to understand. 🌌

Top Langs

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  1. cosmol-studio/COSMolKit cosmol-studio/COSMolKit Public

    Pure-Rust cheminformatics toolkit and RDKit-compatible alternative for SMILES/SMARTS, SDF, fingerprints, substructure search, ETKDG, UFF/MMFF, and Python workflows.

    Rust 29 1

  2. cosmol-studio/COSMol-viewer cosmol-studio/COSMol-viewer Public

    Molecular visualization tools

    Rust 11 1