Statistical Mechanics Python Packages

smol

Lighthweight but caffeinated Python implementation of computational methods for statistical mechanical calculations of configurational states in crystalline material systems.

pyerrors

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

leymosun

High-Entropy Randomness Research Toolkit. High-Entropy Random Number Generation (HE-RNG).

bristol

Parallel random matrix tools and complexity for deep learning

infotopo

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

ensemble-md

A python package for performing GROMACS simulation ensembles

ufjc

The Python package for the uFJC single-chain model.

statmechcrack

Statistical mechanical models for crack growth.

replicatedfocusingbeliefpropagation

Replicated Focusing Belief Propagation algorithm

mumot

Multiscale Modelling Tool - mathematical modelling without the maths

foldamers

Package containing tools to model secondary structure formation in heteropolymers.

spatialstats

Statistical routines to analyze the spatial structure of 2D and 3D spatial fields and particle distributions.

hpsandbox

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