computational-science

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

python linux docker science vagrant reproducible-research archiving reproducible-science scientific-computing ptrace reproducibility computational-science reprozip reprounzip nyu nyucds

Updated Jul 9, 2020
Python

GLVis / glvis

Star

Lightweight OpenGL tool for accurate and flexible finite element visualization

visualization opengl data-viz finite-elements computational-science radiuss

Updated Jul 2, 2020
C++

INRIA / awesome-open-science-software

Star

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

reproducible-research open-science computational-science reproducible-experiments

Updated Jun 3, 2020

OpenDreamKit / OpenDreamKit

Star

Main repository for sharing files and documents about OpenDreamKit

computational-mathematics computational-science european-project

Updated Mar 8, 2020
TeX

lukasturcani / stk

Star

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

chemistry cheminformatics molecular-structures computational-chemistry reactions materials-science molecular-evolution computational-science molecular-modeling materials-screening materials-discoveries materials-design

Updated Jul 17, 2020
Python

2prime / Paper-Reading

Star

Paper Reading

machine-learning deeplearning bayesian-inference computational-science

Updated Mar 30, 2018

asoplata / open-science-resources

Star

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

science awesome neuroscience open-data computational-neuroscience open-science awesome-list computational-science open-datasets

Updated Feb 19, 2020

usnistgov / hiperc

Star

High Performance Computing Strategies for Boundary Value Problems

gpu cuda gpgpu scientific-computing gpu-computing finite-difference materials-science computational-science openacc phase-field diffusion diffusion-equation shared-memory-parallel xeon-phi

Updated Jun 16, 2020
C

yoavram / Py4Eng

Star

Python for Engineers

python jupyter-notebook training-materials computational-science python-course

Updated Dec 1, 2019
Jupyter Notebook

VIDA-NYU / reprozip-examples

Star

Examples and demos for ReproZip

reproducible-research reproducible-science scientific-computing reproducibility computational-science reprozip reprounzip nyucds

Updated Aug 9, 2019
HTML

solvcon / solvcon

Star

A software framework of conservation-law solvers that use the space-time Conservation Element and Solution Element (CESE) method.

computational-science

Updated May 7, 2020
Python

elfi-dev / notebooks

Star

Notebook tutorials

tutorial statistics notebook jupyter-notebook computational-science elfi

Updated Jun 20, 2018
Jupyter Notebook

ConsenSys / hellhound-vm

Star

golang privacy virtual-machine golang-library hellhound computational-science homomorphic-encryption ethereum-dapp privacy-preserving privacy-by-design secure-multi-party-computation

Updated Jan 17, 2019
Go

aromanro / PythonCompphys

Star

Some python workbooks with various topics from Computational Physics

python numpy python3 computational-chemistry computational-physics scipy matplotlib computational-science

Updated Jun 11, 2020
Jupyter Notebook

cjmlgrto / fit3139-notes

Star

Summary notes for FIT3139 — Introduction to Computational Science

data-science modelling computational-science

Updated Nov 9, 2017

MineralsCloud / qe-demystify

Star

Demystify the undocumented Quantum ESPRESSO input/output

documentation tutorial quantum-espresso computational-science

Updated Jul 2, 2020

rescience-c / template

Star

Article template (latex and metadata)

yaml latex replication open-science computational-science

Updated Oct 22, 2019
TeX

camierjs / nabla

Star

The ∇ numerical-analysis DSL improves productivity and enables new algorithmic developments for the construction of hierarchical HPC scientific applications.

high-performance-computing domain-specific-language computational-science numerical-simulations

Updated Jun 18, 2018
C

itislab / alpheus

Star

Alpheus: A tool for organizing and managing computational experiments

machine-learning nuget dotnet-core computational-science dotnet-cli alpheus

Updated Jul 16, 2020
F#

RexGalilae / vasp-tools

Star

A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.