GMPavanLab

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SwarmCGMSwarmCGMPublic
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
Swarm-CGSwarm-CGPublic
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
gmplabtoolsgmplabtoolsPublic
Fortran 1 1
cpctoolscpctoolsPublic
System analysis with soap fingerprints
Python 4 6
dynsightdynsightPublic
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
GMPavanLab/dynsight’s past year of commit activity
Python 1MIT 6 11 (2 issues need help) 1 UpdatedMar 18, 2025
MultiSPbind Public
GMPavanLab/MultiSPbind’s past year of commit activity
MATLAB00 0 0 UpdatedMar 18, 2025
Optimal-Spatiotemporal-Resolutions Public
It contains all the code used for: "Optimal Spatiotemporal Resolutions"
GMPavanLab/Optimal-Spatiotemporal-Resolutions’s past year of commit activity
Jupyter Notebook0MIT0 0 0 UpdatedJan 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"
GMPavanLab/Descriptors’s past year of commit activity
Jupyter Notebook0MIT0 0 0 UpdatedDec 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"
GMPavanLab/HiddenInformation’s past year of commit activity
0MIT0 0 0 UpdatedDec 12, 2024
DefectsTracker_METALS Public
GMPavanLab/DefectsTracker_METALS’s past year of commit activity
Python0 1 0 0 UpdatedOct 23, 2024
timeseries_analysis Public Forked frommatteobecchi/timeseries_analysis
Code for unsupervised clustering of time-correlated data.
GMPavanLab/timeseries_analysis’s past year of commit activity
Python0MIT 1 0 0 UpdatedOct 1, 2024
LEAP Public
GMPavanLab/LEAP’s past year of commit activity
Jupyter Notebook00 0 0 UpdatedSep 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 45MIT 12 8 0 UpdatedAug 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
00 0 0 UpdatedMay 30, 2024