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HIFIS Software Spotlights

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1-12 of 35

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

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

Alpaca

Alpaca (Automated Lightweight Provenance Capture) captures the provenance during the execution of Python scripts that process data and stores the information using a data model based on the the W3C PROV standard.

FAIR Data
Information
metadata
+ 3

Python

CellDetection

An open-source Python package, offering advanced AI methods for the identification and segmentation of biomedical objects, such as cells, in image data. Includes trained models that work out-of-the-box for a wide range of use cases.

cell counting
cell detection
cell segmentation
+ 9

Python
Dockerfile

ChASE

ChASE is a modern and scalable library to solve dense Hermitian (Symmetric) algebraic eigenvalue problems based on a spectral polynomial filter. The library is fully parallelized, and is particularly effective for sequences of eigenproblems as they often arise in electronic structure theory.

C++
Eigensolver
GPU
+ 6

C++
Fortran
CMake

Chemotion ELN

Chemotion ELN is an Open Source electronic lab notebook (ELN) for scientists working in chemistry and colleagues from neighboring disciplines, developed and updated at KIT. The web-based application allows the acquisition, management, storage, processing, and sharing of research data.

Chemistry
Electronic Lab Notebook
Experimental Sciences
+ 2

JavaScript
Ruby
SCSS
+ 5

Citation File Format

The Citation File Format (CFF) project provides a format and schema for plain text CITATION.cff files with human- and machine-readable citation information for software (and datasets). Developers/RSEs can include them in their repositories to let others know how to correctly cite their software.

Citation File Format
Information
metadata
+ 2

Python

CubeGUI

Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource.

High performance computing
Information
Performance Analysis
+ 4

CubeLib

High performance computing
Information
Performance Analysis
+ 4

CubeW

High performance computing
Information
Performance Analysis
+ 4

DataLad

DataLad is a tool for the joint management of code, data, and their relationship, built on top of the version control systems Git & git-annex. It adapts principles of open-source software development & distribution to address challenges of data management, data sharing, & digital provenance capture.

DataLad
data managment
data sharing
+ 8

Python
Shell
Makefile
+ 4

172

FLEUR

FLEUR is a feature-full, freely available FLAPW (full-potential linearized augmented-plane-wave) code, based on density-functional theory. This highly precise all-electron approach is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures.

DFT
High performance computing
hpc
+ 3

Fortran Free Form
C
Motorola 68K Assembly
+ 2