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Cover image for haddock3

haddock3

Haddock3 (High Ambiguity Driven protein-protein DOCKing) is a modular software for for the integrative modeling and refinement of biomolecular complexes.

  • biomolecular complexes
  • docking
  • energetics
  • + 4
  • Python
  • Fortran
  • C++
  • + 9
12
5778
Cover image for COPASI

COPASI

COPASI is an open source software for simulation and analysis of biochemical networks and their dynamics. It provides simulations using ODEs, SDEs, or Gillespie's stochastic simulation algorithm, with optional discrete events. COPASI provides several analyses, optimization, and parameter estimation.

  • Dynamics
  • optimization
  • Parameter estimation
  • + 3
  • C++
  • Java
  • Fortran
  • + 17
12
2660
Cover image for ASTRA Toolbox

ASTRA Toolbox

The ASTRA Toolbox is a Python and MATLAB library of flexible, high-performance GPU-accelerated primitives for 2D and 3D tomography.

  • CT
  • GPU
  • Image reconstruction
  • + 4
  • C++
  • Cuda
  • MATLAB
  • + 8
2
1338
Cover image for Parallel Ice Sheet Model (PISM)

Parallel Ice Sheet Model (PISM)

An open-source modelling framework for ice sheets and glaciers

  • C++
  • geophysics
  • Glacier
  • + 5
  • C++
  • Python
  • CMake
  • + 9
33
868
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
281
Cover image for SAGECal

SAGECal

Fast, memory efficient and GPU accelerated radio interferometric calibration program

  • Big data
  • GPU
  • High performance computing
  • C
  • C++
  • Cuda
  • + 5
4
182
Cover image for Parcels

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.

  • lagrangian-ocean-modelling
  • ocean-circulation-models
  • particles
  • Python
  • C
25
123
Cover image for NNPDF

NNPDF

Fitting proton substructure to observation data using neural networks

  • Machine learning
  • PDF
  • Python
  • Jupyter Notebook
  • C
  • + 5
7
113
Cover image for DeepRank

DeepRank

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

  • Big data
  • Machine learning
  • Optimized data handling
  • Python
  • R
  • C
  • + 2
8
85
Cover image for compareMS2

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
  • JavaScript
  • C
  • HTML
  • + 2
2
40
Cover image for HyperCanny

HyperCanny

Finds edges in high-dimensional data using the Canny algorithm.

  • Data Analysis
  • edge detection
  • High performance computing
  • C++
  • C
  • Python
  • + 3
1
26
Cover image for OMUSE

OMUSE

A Python environment to interface and couple oceanographic and other earth system model codes.

  • High performance computing
  • Multi-scale & multi model simulations
  • Fortran
  • Python
  • HTML
  • + 10
8
24