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Cover image for haddock3

haddock3

Haddock3 (High Ambiguity Driven protein-protein DOCKing) is a an information-driven flexible docking approach for the modeling of biomolecular complexes.

  • Inter-operability & linked data
  • Python
  • Fortran
  • C++
  • + 8
12
2814
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
2577
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
1257
Cover image for EC-Earth

EC-Earth

A European community Earth-System Model

  • Climate change
  • Climate modeling
  • High performance computing
    2
    823
    Cover image for Chemistry Development Kit

    Chemistry Development Kit

    Open Source cheminformatics library.

    • Cheminformatics
    • Chemistry
    • Computational Chemistry
    • Java
    • Pawn
    • HTML
    5
    820
    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
    745
    Cover image for ESMValTool

    ESMValTool

    The Earth System Model eValuation Tool is a community diagnostics and performance metrics tool for the evaluation of Earth System Models that allows for routine comparison of models and observations.

    • Big data
    • Optimized data handling
    • Visualization
    • + 1
    • NCL
    • Python
    • R
    • + 6
    95
    325
    Cover image for OpenChrom

    OpenChrom

    OpenChrom is a vendor independent open source software for chromatography, spectrometry and spectroscopy.

    • chromatography
    • mass spectrometry
    • Java
    • CSS
    • HTML
    2
    178
    Cover image for spec2vec

    spec2vec

    spec2vec is a novel similarity measure for comparing mass spectrometry data, which learns peak representations using Word2Vec.

    • Machine learning
    • Text analysis & natural language processing
    • Python
    • Batchfile
    • Makefile
    10
    148
    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 GGIR

    GGIR

    Converts raw data from wearables into insightful reports for researchers investigating human daily physical activity and sleep.

    • Big data
    • R
    7
    120
    Cover image for BridgeDb Java

    BridgeDb Java

    Java library for identifier mapping

    • Data
    • persistent identifiers
    • Java
    • Perl
    • Shell
    • + 4
    18
    117