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@GMPavanLab

GMPavanLab

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  1. SwarmCGM 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 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 43 10

  3. gmplabtools gmplabtools Public

    Fortran 1 1

  4. cpctools cpctools Public

    System analysis with soap fingerprints

    Python 4 6

Repositories

Showing 10 of 37 repositories
  • dynsight Public
    GMPavanLab/dynsight’s past year of commit activity
    Python 1 MIT 6 12 (1 issue needs help) 0 Updated Nov 26, 2024
  • 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"

    GMPavanLab/Descriptors’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Nov 21, 2024
  • DefectsTracker_METALS Public
    GMPavanLab/DefectsTracker_METALS’s past year of commit activity
    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.

    GMPavanLab/timeseries_analysis’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Oct 1, 2024
  • LEAP Public
    GMPavanLab/LEAP’s past year of commit activity
    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

    GMPavanLab/Swarm-CG’s past year of commit activity
    Python 43 MIT 10 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"

    GMPavanLab/Porphyrin-SPcapping’s past year of commit activity
    0 0 0 0 Updated May 30, 2024
  • Wateropti Public

    Supporting data for wateropti paper

    GMPavanLab/Wateropti’s past year of commit activity
    Python 0 0 0 0 Updated Dec 6, 2023
  • cpctools Public

    System analysis with soap fingerprints

    GMPavanLab/cpctools’s past year of commit activity
    Python 4 MIT 6 3 0 Updated Nov 16, 2023
  • LENS Public

    Supporting data of submitted paper "Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling".

    GMPavanLab/LENS’s past year of commit activity
    Jupyter Notebook 3 2 0 0 Updated Nov 16, 2023
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