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10 search results found

Statistical Mechanics on Lattices

Pyerrors ⭐ 29

Error propagation and statistical analysis for Markov chain Monte Carlo simulations in lattice QCD and statistical mechanics using autograd

Multiscale Modelling Tool - mathematical modelling without the maths

Infotopopy ⭐ 17

computes most of information functions (joint entropy, conditional, mutual information, total correlation information distance) and deep information networks

Pyfolding ⭐ 12

Python framework for multi-parameter optimization and model evaluation

Ensemble_md ⭐ 9

A python package for performing GROMACS simulation ensembles

Programs for Information Topology Data Analysis

Spatialstats ⭐ 8

spatialstats is collection of statistical tools and utility routines used to analyze the multi-scale structure of 2D and 3D spatial fields and particle distributions.

Pymembrane ⭐ 8

Advanced Coarse-Grained Membrane Simulation

Modulated automation of cluster expansion based on atomate2 and Jobflow

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