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  1. CTDG-MD CTDG-MD Public

    Physics-informed CTDG framework for protein–ligand MD analysis, combining E(n)-equivariant message passing, temporal virtual nodes, patch Fourier encoding, and segmented BPTT to predict interaction…

    Python 1

  2. Geotransformer-Gine Geotransformer-Gine Public

    Hybrid GINE + Graph Transformer for 2D molecular property prediction (BACE/BBBP/HIV) with scaffold-split evaluation. Includes ablation study demonstrating that virtual nodes harm performance on imb…

    Python 1

  3. Loan-Payoff-model Loan-Payoff-model Public

    Jupyter Notebook 1

  4. Algae Algae Public

    Jupyter Notebook 1

  5. openfe_analysis openfe_analysis Public

    Forked from OpenFreeEnergy/openfe_analysis

    Structural analysis tools for OpenFE free energy calculations, built on MDAnalysis.

    Python 1

  6. Mathematical-Trading-Strategy Mathematical-Trading-Strategy Public

    This is repo of Mathematical trading strategy

    Jupyter Notebook 1