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1-12 of 14

CP2K

CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.

electronic structure
GPU
High performance computing
+ 5

Fortran
C
Python
+ 13

2010

CORSIKA

A Monte Carlo framework for the simulation of particle showers initiated in the Earth's atmosphere (or dense media) by high-energy particles from the cosmos.

Astroparticle Physics
Matter
Monte Carlo simulation

1550

CrystFEL

CrystFEL is a suite of programs to process data from "serial crystallography" experiments.

crystallography
Matter
structural biology
+ 2

C
Julia
Python
+ 2

337

AiiDA-KKR

This AiiDA plugin provides high-throughput automation and FAIR data management for the Jülich KKR codes.

Data Visualization
FAIR Data
Information
+ 4

Python
Shell
OpenEdge ABL

Propulate

An asynchronous evolutionary optimization algorithm and software package for global optimization and hyperparameter search on high-performance computers.

Aeronautics, Space and Transport
Earth & Environment
Energy
+ 9

Python

HELIPORT

The guidance system HELIPORT aims to make the entire life cycle of a scientific project according to the FAIR principles. In particular, our data management solution deals with the areas from the generation of the data to the publication of primary research data, the workflows and results.

data managment
Earth & Environment
Energy
+ 10

Python
HTML
JavaScript
+ 2

FairMQ

FairMQ is designed to help implement large-scale data processing workflows needed in next-generation particle physics experiments.

framework
Matter
workflow library

C++
CMake
C
+ 2

Kadi4Mat

Kadi4Mat is a generic and open source virtual research environment.

Aeronautics, Space and Transport
Earth & Environment
Electronic Lab Notebook
+ 9

Python
Vue
HTML
+ 2

AiiDA-Spirit

AiiDA plugin for FAIR high-throughput spin-dynamics simulations with the Spirit code (http://spirit-code.github.io/).

data managment
Data Visualization
FAIR Data
+ 5

JavaScript
Python
HTML
+ 1

atoMEC

atoMEC is a python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter. It is designed as an open-source and modular python package.

Matter

Python
Shell

PIConGPU

PIConGPU is a relativistic Particle-in-Cell code running on graphic processing units as well as regular multi-core processors. It is Open Source und is freely available for download. It can be used to study plasmas with relativistic dynamics, solving the Maxwell-Vlasov system of equations.

CPU
GPU
heterogeneous computing
+ 3

C++
Python
Shell
+ 5

JuKKR

The Korringa-Kohn-Rostoker (KKR) Greens function method is a highly accurate all-electron method to perform density functional theory calculations for the prediction of materials properties based on quantum mechanical simulations.

CPU
Density functional theory
High performance computing
+ 5

Fortran Free Form
Fortran
TeX
+ 2