All software
3D-e-Chem Virtual Machine
A freely available Virtual Machine encompassing tools, databases, and workflows for cheminformaticians, including new resources developed for ligand binding site comparisons and GPCR research.
- Inter-operability & linked data
- Workflow technologies
- (Shell)
- (Smarty)
[MegAWES] Matlab/Simulink model underlying the publication: Six Degrees-of-Freedom Simulation Model for Multi-Megawatt Airborne Wind Energy Systems
[MegAWES] Matlab/Simulink model underlying the publication: Six Degrees-of-Freedom Simulation Model for Multi-Megawatt Airborne Wind Energy Systems
- 6 DoF rigid-body kite
- Airborne Wind Energy (AWE)
- Airborne wind energy power performance
- + 3
compareMS2
compareMS2 is a tool for direct comparison of tandem mass spectrometry datasets, typically from liquid chromatography-tandem mass spectrometry (LC-MS/MS), defining a distance as a function of the share of similar spectra. Applications span biomedicine, phylogenetics, forensics and food science.
- Forensics
- mass spectrometry
- phylogenetics
- + 1
- (C)
- (CSS)
- (HTML)
- + 2
KLIFS KNIME nodes
If you are working in the KNIME worflow platform and need data about your favorite kinase receptor ligand interaction, then these nodes are for you.
- Workflow technologies
- (Java)
- (Scala)
- (Shell)
kww: Kohlrausch-Williams-Watts function
Library to compute the Fourier-Laplace transform of the stretched exponential function.
- Math Library
- Numerics
- Special functions
- C
- CMake
- SWIG
- + 1
Research Software Directory
A content management system for research software, which promotes the visibility, reuse, and impact of research software.
- FAIR
- Research Software Impact
- Software Citation
- (CSS)
- (Dockerfile)
- (Go)
- + 9
KNIME Silicos-it nodes
A node for the KNIME workflow systems that allows you to use the Silicos-it software to filter or align molecules.
- Workflow technologies
- (Java)
Album
A Platform for Replicable Science. Album is an open-source tool that simplifies sharing and running scientific workflows. With isolated environments, metadata for easy discovery, and cross-platform support, it ensures replicability. Designed for collaboration, it’s adopted by leading researchers.
- GUI
- Interactivity
- open source
- + 2
- Python
- Dockerfile
- Shell
BlueObelisk Euclid
A library of numeric, geometric and XML routines
- (HTML)
- (Java)
CMLXOM
Java library for working with Chemical Markup Language files.
- Chemical Markup Language
- Chemistry
- XML
- (Batchfile)
- (HTML)
- (Java)
- + 1
ILTpy
ILTpy is a python library for performing regularized inversion of one-dimensional or multi-dimensional data without non-negativity constraint. Primary applications include magnetic resonance (NMR, EPR), and electrochemical impedance spectroscopy (distribution of relaxation times; DRT).
- Distribution of Relaxation times
- DRT
- EPR
- + 7
- Python
- HTML
KNIME node archetype
Want to write your own KNIME node Then use the KNIME node archetype to generate a node skeleton repository with sample code.
- Workflow technologies
- (Java)