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Cover image for ChemSpaX: A Python tool for local chemical space exploration

ChemSpaX: A Python tool for local chemical space exploration

ChemSpaX is a Python package that can be used for local chemical space exploration of any structure. This is done by placing substuents on a pre-defined skeleton. A substituent can be chosen from an existing library and can be attached to the skeleton.

  • catalysis
  • Chemistry
  • python
  • Python
  • Shell
3
8
Cover image for TraP: The LOFAR Transients Pipeline

TraP: The LOFAR Transients Pipeline

The LOFAR Transients Pipeline (or "TraP") is a Python and SQL based system for detecting and responding to transient and variable sources in a stream of astronomical images.

  • Image processing
  • radio astronomy
  • Source association
  • + 3
  • Python
  • PLpgSQL
  • Mako
  • + 1
6
8
Cover image for ece2cmor3

ece2cmor3

Process EC-Earth output to publish for CMIP6

  • Big data
  • High performance computing
  • Optimized data handling
  • Shell
  • Python
2
7
Cover image for Turing Data Safe Haven

Turing Data Safe Haven

Data Safe Haven is an open-source framework for creating Trusted Research Environments (TREs) to analyse sensitive data. It provides a set of scripts that will allow you to deploy, administer and use your own TRE on Microsoft Azure cloud.

  • Cloud
  • cloud storage
  • Infrastructure as code
  • + 3
  • Python
  • Shell
  • Jinja
  • + 3
29
7
Cover image for xtas

xtas

the eXtensible Text Analysis Suite

  • Text analysis & natural language processing
  • Python
  • Shell
  • Java
2
7
Cover image for AMUSE

AMUSE

Combine existing numerical codes in an easy to use Python framework. With AMUSE you can simulate objects such as star clusters, proto-planetary disks and galaxies.

  • High performance computing
  • Multi-scale & multi model simulations
  • Workflow technologies
  • C
  • Fortran
  • Python
  • + 26
6
6
Cover image for 3D Slicer

3D Slicer

3D Slicer is a free, open source software for visualization, processing, segmentation, registration, and analysis of medical, biomedical, and other 3D images and meshes; and planning and navigating image-guided procedures.

  • 3D
  • 3DSlicer
  • Extension
  • + 7
  • C++
  • Python
  • CMake
  • + 5
4
5
Cover image for cffinit

cffinit

A web form to initialize CITATION.cff files which you can use to include citation information into your software repository.

  • Software Citation
  • TypeScript
  • Vue
  • JavaScript
  • + 3
7
4
Cover image for eAstroViz

eAstroViz

This tool can convert and visualize radio astronomy measurement sets, as well as most LOFAR intermediate data products. It also performs RFI mitigation.

  • LOFAR
  • radio astronomy
  • RFI
  • Java
  • C++
  • Cuda
  • + 3
1
4
Cover image for evidence

evidence

doc2vec-based assisted close reading with support for abstract concept-based search and context-based search

  • Text analysis & natural language processing
  • TypeScript
  • Go
  • Jupyter Notebook
  • + 5
9
4
Cover image for howfairis

howfairis

Command line tool to analyze a git repository's compliance with the fair-software.eu recommendations.

  • HTML
  • Python
  • Shell
  • + 1
7
4
Cover image for LUE

LUE

LUE is software for storing and manipulating large amounts of information for large numbers of objects. The software is useful, and currently mainly used, in the context of environmental modelling of biological and physical systems, represented by agents and fields.

  • Agent-based modeling
  • environmental modelling
  • field based modelling
  • + 6
  • C++
  • Python
  • CMake
  • + 6
3
4