Search Packages

smol

Statistical Mechanics on Lattices

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 Generator (HE-RNGs). Generation of random matrices in canonical ensembles. Generating of mixed matrix ensembles via Mixed Matrix Ensemble Sampling (MMES) algorithm. Matrix utilities, spectral analysis, krylov and quantum core, spectral unfolding, nearest-neighbor spacing, mean adjacent gap ratio, analytic expressions from theory and uncertainty quantification.

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.

bristol

Parallel random matrix tools and random matrix theory deep learning applications. Generate matrices from Circular Unitary Ensemble (CUE), Circular Ortogonal Ensemble (COE) and Circular Symplectic Ensemble (CSE). Additional spectral analysis utilities are also implemented, such as computation of spectral density and spectral ergodicity for complexity of deep learning architectures.

statmechcrack

Statistical mechanical models for crack growth.

ensemble-md

A python package for performing GROMACS simulation ensembles

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.

mumot

Multiscale Modelling Tool - mathematical modelling without the maths

foldamers

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

replicatedfocusingbeliefpropagation

Replicated Focusing Belief Propagation algorithm

hpsandbox

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