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Achievement: Pull Sharkx2Achievement: Starstruck

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  1. ColabMDA ColabMDA Public

    User friendly molecular dynamics simulation combining Modeller, OpenMM and Google Colab: A complete guide

    Python 27 6

  2. cdkl5-variants cdkl5-variants Public

    Highlights the end-to-end workflow for CDKL5 variant analysis, substrate interaction modeling with ColabFold, HADDOCK3 docking, and variant reclassification.

    Jupyter Notebook 1

  3. sampdi3dv2 sampdi3dv2 Public

    Forked from shaileshp51/sampdi3dv2

    A tool for predicting the binding free energy change due to mutation of a single amino acid in protein or a single base-pair mutation in DNA for protein-DNA complex using the protein-DNA wildtype s…

    Python 1

  4. VarMDyn VarMDyn Public

    Scripts for variant clustering, structural modeling, molecular dynamics simulation and trajectory analysis.

    Python