All software
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
- (BitBake)
- (C)
- (C++)
- + 11
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
- (Batchfile)
- (C)
- (C#)
- + 17
TOTEM_M
Code underlying: Topology Optimization of Thermo-Electro-Mechanical elements (TOTEM)
- Non-convexity
- Power constraint
- SIMP
- + 3
- (HTML)
- (large-text-file)
- (Markdown)
- + 2
Chemistry Development Kit
Open Source cheminformatics library.
- Cheminformatics
- Chemistry
- Computational Chemistry
- (HTML)
- (Java)
- (Pawn)
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
- (Batchfile)
- (C)
- (C++)
- + 8
EC-Earth
A European community Earth-System Model
- Climate change
- Climate modeling
- High performance computing
- + 1
GGIR
Converts raw data from wearables into insightful reports for researchers investigating human daily physical activity and sleep.
- Big data
- (R)
Parallel Ice Sheet Model (PISM)
An open-source modelling framework for ice sheets and glaciers
- C++
- geophysics
- Glacier
- + 5
- (C)
- (C++)
- (CMake)
- + 9
DUNE (Distributed and Unified Numerics Environment)
DUNE, the Distributed and Unified Numerics Environment, is a modular toolbox for solving partial differential equations (PDEs) with grid-based methods. It supports the easy, flexible, and efficient implementation of finite element and volume methods. DUNE is C++ code and also has a Python interface.
- C++
- Grid-based PDE methods
- High performance computing
- + 5
- (C++)
- (CMake)
- (Hack)
- + 2
DuMux
DuMux - DUNE for Multi-{Phase, Component, Scale, Physics, …} flow and transport in porous media and more. The swiss army knife of porous media research. Open-source simulator in modern C++.
- Earth and Environmental Sciences
- Engineering
- Finite volume method
- + 9
- (C)
- (C++)
- (CMake)
- + 2
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
- (Dockerfile)
- ("Emacs Lisp")
- (Jinja)
- + 7
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
- (Assembly)
- (C)
- (C++)
- + 23