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1-12 of 15

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

5645

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

2616

Parallel Ice Sheet Model (PISM)

An open-source modelling framework for ice sheets and glaciers

C++
geophysics
Glacier
+ 5

C++
Python
CMake
+ 9

785

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

DALES

DALES is a large-eddy simulation code designed for studies of the physics of the atmospheric boundary layer, including convective and stable boundary layers as well as cloudy boundary layers.

Fortran
C
TeX
+ 8

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

MUSCLE3

MUSCLE3 is a coupling library for building multiscale simulations out of single-scale models.

High performance computing
Multi-scale & multi model simulations

Fortran
C++
Python
+ 2

Abinit

Abinit is a software package based on density functional theory for calculating the properties of solids.

Fortran
Python
M4
+ 15

CHAMP-EU

The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations. The code is developed by Claudia Filippi and Saverio Moroni, with significant contributions by Ravindra Shinde, N. Renaud, V. Azizi, E. Landinez, and S. Shepard.

Chemistry
High performance computing
Physics
+ 1

C
Fortran
Nemerle
+ 16

Davidson diagonalization in Fortran

This package contains a Modern Fortran implementation of the Davidson diagonalization algorithms to compute several eigenvalue-eigenvector pairs of a symmetric matrix

High performance computing

Fortran
CMake
Python

minimism

A minimal distributed MPI port from UFEMISM, used as a basis for UFEMISM2.0

Finite volume method
ice sheet
MPI
+ 1

Fortran
MATLAB
Mathematica
+ 4

NetCDF2LittleR

An application to convert NetCDF files to the Little-R format

Fortran
CMake
Pascal