computational-science

Lecture Notes for Linear Algebra Featuring Python. This series of lecture notes will walk you through all the must-know concepts that set the foundation of data science or advanced quantitative skillsets. Suitable for statistician/econometrician, quantitative analysts, data scientists and etc. to quickly refresh the linear algebra with the assis…

Lightweight, general, scalable C++ library for finite element methods

The ReScience journal. Reproducible Science is Good. Replicated Science is better.

SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.

The official repository for the AiiDA code

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

Lightweight OpenGL tool for accurate and flexible finite element visualization

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Record shell-commands and used files. Easily tell which command created a file.

awesome open list of pointers about open science for software and computational science

Curated list of some open source codes employing lattice Boltzmann methods

Main repository for sharing files and documents about OpenDreamKit

A publicly-editable collection of open science resources, including tools, datasets, meta-resources, etc.

Paper Reading

Computational Chemistry Workflows

High Performance Computing Strategies for Boundary Value Problems

Some python workbooks with various topics from Computational Physics

Leibniz - a Digital Scientific Notation

Crack Analysis Tool in Python (CrackPy) - automatic detection and fracture mechanical analysis of (fatigue) cracks using digital image correlation

Python for Engineers