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  • Beijing University
  • Beijing, China

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givemeone1astkiss/README.md

Hello stranger!

My name is Wang and I am an undergraduate student at PKU.

My research interests are in the following areas:

  • Artificial intelligence-based protein design
  • Structure-based drug design (SBDD)
  • Machine learning force fields for molecular dynamics

Let's reshape the world!

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    Transformer (decoder-only) based molecular generation model.

    Python

  2. Notebook-ML-Tutorial Notebook-ML-Tutorial Public

    【机器学习】【白板推导系列】笔记(BV1aE411o7qd)

  3. DeepRPI DeepRPI Public

    Deep learning-based RNA-protein interaction prediction tool, official repository for dry lab of iGEM 2025 PekingHSC.

    Jupyter Notebook 1

  4. OpTide OpTide Public

    Code repository for the 2025 Undergraduate Innovation Experiment for automated molecular dynamics simulation and modification of amphiphilic peptides.

    Python

  5. RNA-MPNN RNA-MPNN Public

    A graph neural network-based RNA refolding algorithm to recover RNA sequences from structural information. The 3rd World Science Intelligence Competition Innovative Pharmaceutical Track: RNA Refold…

    Jupyter Notebook

  6. TGNN TGNN Public

    A pre-trained autoregressive molecular generation model based on tokenized molecular graphs.

    Jupyter Notebook