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hamlet-khachatryan/README.md

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  1. ConformMin-cMCTS ConformMin-cMCTS Public

    ConformMin-cMCTS: Repository for conformational energy global minimization using continuous Monte Carlo Tree Search (CMCTS) algorithm.

    Jupyter Notebook

  2. ovavourakis/PKPy ovavourakis/PKPy Public

    Python Package to Solve Simple Pharmacokinetic Models (SABS DTC)

    Python

  3. ResidueWalker ResidueWalker Public

    ResidueWalker is a PyMol plugin designed for residue-wise inspection of protein-ligand models. It is primarily designed for crystallographers and structural biologists to inspect the local fit of t…

    Python 1

  4. PSEUDO PSEUDO Public

    PSEUDO: Computational framework for debiasing and experimental uncertainty quantification in protein structural models

    Python 1