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  • Suzhou, China
  • 08:14 (UTC +08:00)

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freeenergylab/README.md

Pengfei Li（李鹏飞）

📚 My Publications

You can find a complete list on my Google Scholar profile.

💻 My GitHub Stats

GitHub Stats GitHub Streak

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  1. amber_tutorials amber_tutorials Public

    Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.

    Jupyter Notebook 19 7

  2. freeenergy freeenergy Public

    Forked from samuelymei/freeenergy

    Jupyter Notebook 1

  3. FEP-SPell-ABFE FEP-SPell-ABFE Public

    FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery

    Python 76 14

  4. mbar_wham mbar_wham Public

    Multistate Bennett Acceptance Ratio & Weighted Histogram Analysis Method

    Fortran 3

  5. ErrorBP-NN ErrorBP-NN Public

    Implement the error backpropagation algorithm for neural network.

    Jupyter Notebook

  6. CudaSPONGE CudaSPONGE Public

    Code Tours for CudaSPONGE