All software
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
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
- Fortran
- C++
- Nextflow
- + 2
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.
- C++
- CPU
- GPU
- + 9
- C++
- Python
- Shell
- + 5
CrystFEL
CrystFEL is a suite of programs to process data from "serial crystallography" experiments.
- crystallography
- Matter
- structural biology
- + 2
- C
- Julia
- Python
- + 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
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
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
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
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
Herbie - The Semantic ELN
Herbie is a semantic ELN developed at Hereon. Its open technology supports arbitrary scientific fields and enables structured, machine‑readable, FAIR documentation. It generates intuitive forms, semantically annotates all entries, and builds a knowledge graph for complex queries.
- Aeronautics, Space and Transport
- data managment
- Earth & Environment
- + 10
- Elm
- JavaScript
- Python
- + 2