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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
5748
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
2647
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
1331
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
866
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
379
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
280
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
181
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
171
Cover image for ESMValCore

ESMValCore

ESMValTool Core: core functionalities and driver for ESMValTool, a community diagnostic and performance metrics tool for routine evaluation of Earth System Models in CMIP.

  • Big data
  • Optimized data handling
  • Visualization
  • + 1
  • Python
  • Jupyter Notebook
  • HTML
  • + 5
48
123
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 Kernel Tuner

Kernel Tuner

Kernel Tuner greatly simplifies the development of highly-optimized and auto-tuned CUDA, OpenCL, and C code, supporting many advanced use-cases and optimization strategies that speed up the auto-tuning process.

  • Big data
  • GPU
  • High performance computing
  • + 3
  • Python
15
113
Cover image for NNPDF

NNPDF

Fitting proton substructure to observation data using neural networks

  • Machine learning
  • PDF
  • Python
  • Jupyter Notebook
  • C
  • + 5
7
112