All software

FAIR Data Point

RESTful web service that enables data owners to expose their data sets using rich machine-readable metadata.

Scholia

Graphical User Interface around Wikidata that uses SPARQL to collect data

matchms

Python library for fuzzy comparison of mass spectrum data and other Python objects

Parcels

Parcels (Probably A Really Computationally Efficient Lagrangian Simulator) is a set of Python classes and methods to create customisable particle tracking simulations using output from Ocean Circulation models. Parcels can be used to track passive and active particulates such as plastic and fish.

ESMValCore

Materials Learning Algorithms

MALA (Materials Learning Algorithms) is a data-driven framework to accelerate electronic structure calculations based on machine learning. Its purpose is to construct neural-network surrogate models for bypassing computationally expensive steps in state-of-the-art density functional simulations.

BrainPrint

Our BrainPrint tools provide shape descriptors of neuroanatomical structures and require a FreeSurfer or FastSurfer segmentation as a pre-processing step. BrainPrint is based on “ShapeDNA” a spectral shape descriptor.

DeepRank

Deep learning framework for data mining protein-protein interactions using CNN

RiboDetector

RiboDetector is designed to rapidly and accurately detect rRNA sequences from metagenomic, metatranscriptomic, and ncRNA sequencing data. It has been optimized for use with both CPUs and GPUs. It outperforms existing software by delivering 10-50x faster runtime and ~10x fewer false classifications.

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.

BornAgain

Software to simulate and fit neutron and x-ray reflectometry and grazing-incidence small-angle scattering. The latter is computed as usual, using the distorted-wave Born approximation, hence the name. Users can set up arbitrary multilayer samples with interface roughness and embedded nanoparticles.

MAGMa

MAGMa is an online application for the automatic chemical annotation of mass spectrometry data.