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@GMPavanLab

GMPavanLab

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  1. SwarmCGM Public

    Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (bottom-up) and experimental data (top-down)

    Python 10

  2. Swarm-CG Public

    Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

    Python 45 12

  3. gmplabtools Public

    Fortran 1 1

  4. cpctools Public

    System analysis with soap fingerprints

    Python 4 6

  5. dynsight Public

    A framework for the analysis of the dynamics of particle trajectories

    Python 1 6

Repositories

Showing 10 of 40 repositories
  • dynsight Public

    A framework for the analysis of the dynamics of particle trajectories

    Python 1 MIT 6 11 (2 issues need help) 2 Updated Mar 18, 2025
  • MultiSPbind Public
    MATLAB 0 0 0 0 Updated Mar 18, 2025
  • Optimal-Spatiotemporal-Resolutions Public

    It contains all the code used for: "Optimal Spatiotemporal Resolutions"

    Jupyter Notebook 0 MIT 0 0 0 Updated Jan 10, 2025
  • Descriptors Public

    It contains all the code used for: "A data-driven approach to classify descriptors based on their efficiency in translating noisy trajectories into physically-relevant information"

    Jupyter Notebook 0 MIT 0 0 0 Updated Dec 12, 2024
  • HiddenInformation Public

    Contains all the data used in the paper "Relevant, hidden, and frustrated information in high-dimensional analyses of complex dynamical systems with internal noise"

    0 MIT 0 0 0 Updated Dec 12, 2024
  • DefectsTracker_METALS Public
    Python 0 1 0 0 Updated Oct 23, 2024
  • timeseries_analysis Public Forked from matteobecchi/timeseries_analysis

    Code for unsupervised clustering of time-correlated data.

    Python 0 MIT 1 0 0 Updated Oct 1, 2024
  • LEAP Public
    Jupyter Notebook 0 0 0 0 Updated Sep 30, 2024
  • Swarm-CG Public

    Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

    Python 45 MIT 12 8 0 Updated Aug 19, 2024
  • Porphyrin-SPcapping Public

    Structures and topologies of submitted paper "Controlling the length of porphyrin-based supramolecular polymers via coupled equilibria and dilution induced self-assembly"

    0 0 0 0 Updated May 30, 2024
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