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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
5675
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
2622
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
1313
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
794
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
345
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
175
Cover image for BridgeDb Java

BridgeDb Java

Java library for identifier mapping

  • Data
  • persistent identifiers
  • Java
  • Perl
  • Shell
  • + 5
18
117
Cover image for NNPDF

NNPDF

Fitting proton substructure to observation data using neural networks

  • Machine learning
  • PDF
  • Python
  • Jupyter Notebook
  • C
  • + 5
7
110
Cover image for Paired omics data platform

Paired omics data platform

If you do metabolomics experiments with mass spectra and have sequenced the genomes of the samples, then the platform can help you link them.

  • Inter-operability & linked data
  • TypeScript
  • JavaScript
  • HTML
  • + 3
2
100
Cover image for GrainLearning

GrainLearning

Unsure about the parameters of your grains in a computer simulation? Use Iterative Bayesian Filtering to learn parameter distributions from limited data. Is your model running slowly? Speed up your simulations with machine-learning surrogates. All these features are integrated within GrainLearning.

  • Bayesian Inference
  • Data assimilation
  • Machine learning
  • + 2
  • Jupyter Notebook
  • Python
  • PureBasic
  • + 1
3
86
Cover image for TraP: The LOFAR Transients Pipeline

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.

  • Image processing
  • radio astronomy
  • Source association
  • + 3
  • Python
  • PLpgSQL
  • Mako
  • + 1
6
86
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
80