Three-dimensional density profile analysis.

Python package to support fitting of force-field parameters and more.

Some Hopfion illustrations with pyvista

LaTeX class and template for Marie Skłodowska-Curie Actions Postdoctoral Fellow (MSCA-PF) grant applications

Utilities for ASE.

Workflow for running the SCME code through snakemake

Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.

A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS

Characterization of local atomic environments using IRA/SOFI

Algorithms, 4th edition textbook code and libraries

Stochastic model for lava flows

C++ implementation of a fast hash map and hash set using robin hood hashing

A code to simulate lava flows.

Post process mfpt calculations

Compute the inverse of the error function in C++.

Utopia is a comprehensive modelling framework for complex and evolving systems. Docs @ https://docs.utopia-project.org — NOTE: This repository is a READ-ONLY-MIRROR of the actual development reposi…

A code for opinion dynamics simulations.

Chemical plotters and parsers

R bindings to fast_matrix_market for reading and writing .mtx files

Library for home-grown neural networks

A cheatsheet of modern C++ language and library features.

Post-processing and plotting of Seldon simulations.

A package I made to reuse some of the python code I wrote while dealing with spirit. Will be pretty sloppy code.

Source code and files for Real World Data Science website.

Install Conda and friends on Google Colab, easily