Statistical Mechanics Python Packages

smol

Statistical Mechanics on Lattices

physicskit

Watch the laws of physics play out: a Python toolkit for learning and teaching computational physics across 14 domains, from quantum mechanics to black holes, built on numpy/scipy

pysfbox

PySFBox — Scheutjens-Fleer lattice SCF in pure Python/NumPy, input/output compatible with sfbox/Namics

pyerrors

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

chemistrykit

See the equations of chemistry at work: a Python toolkit for learning and teaching computational chemistry across 14 domains, built on numpy/scipy

bristol

Parallel random matrix tools and complexity for deep learning

replicatedfocusingbeliefpropagation

Replicated Focusing Belief Propagation algorithm

leymosun

Leymosun Science: Quantum Research Toolkit

infotopo

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

ufjc

The Python package for the uFJC single-chain model.

ensemble-md

A python package for performing GROMACS simulation ensembles

statmechcrack

Statistical mechanical models for crack growth.

spatialstats

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.

foldamers

Tools to model folding and evaluate thermodynamic properties for polymers and oligomers

mumot

Multiscale Modelling Tool - mathematical modelling without the maths

hpsandbox

a package of Python modules and example scripts for experimenting with the two-dimensional HP lattice model of Dill and Chan.