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ESPResSo++

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Claimed by Max Planck Institute for Po... Analyzed about 20 hours ago

ESPResSo++ is a highy versatile, parallelized, scientific simulation software for coarse-grained simulations of atomic and molecular systems. ESPResSo++ is the descendant of the ESPResSo simulation software. It is implemented in C++ and controlled via Python.

99.2K lines of code

9 current contributors

about 2 months since last commit

4 users on Open Hub

Very Low Activity
0.0
 
0 Reviews
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Mostly written in C++
Licenses: gpl
Tags c++ molecular_dynamics moleculardynamics molecularsimulation mpi parallelcomputing python science scientific_computing scientificcomputing scientificsoftware

ESPResSo Soft Matter Simulation Software

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  Analyzed 4 months ago

ESPResSo is a highly versatile software package for scientific simulations and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.

519K lines of code

0 current contributors

4 months since last commit

3 users on Open Hub

Activity Not Available
0.0
 
0 Reviews
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Mostly written in C++
Licenses: gpl3_or_l...
Tags c cuda gpu molecular_dynamics moleculardynamics molecularsimulation mpi parallelcomputing science scientific_computing scientificcomputing scientificsoftware 1 more...

BRIAN simulator

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  Analyzed about 15 hours ago

Brian is a simulator for spiking neural networks available on almost all platforms. The motivation for this project is that a simulator should not only save the time of processors, but also the time of scientists. Brian is easy to learn and use, highly flexible and easily extensible. The Brian ... [More] package itself and simulations using it are all written in the Python programming language, which is an easy, concise and highly developed language with many advanced features and development tools, excellent documentation and a large community of users providing support and extension packages. [Less]

107K lines of code

0 current contributors

about 1 year since last commit

2 users on Open Hub

Very Low Activity
0.0
 
0 Reviews
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Mostly written in Python
Licenses: cecill-v2_1
Tags networksimulation neuronalnetwork neurons neuroscience python science scienceresearch scientific scientific_computing scientificcomputing scientificlibrary scientificsoftware 4 more...

FreeON

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Claimed by Los Alamos National Lab Analyzed 1 day ago

FreeON is an experimental, open source (GPL) suite of programs for linear scaling quantum chemistry. It is highly modular, and has been written from scratch for N-scaling SCF theory in Fortran95 and C. Platform independent I/O is supported with HDF5. FreeON should compile with most modern Linux ... [More] distributions and OS X. FreeON performs Hartree-Fock, pure Density Functional, and hybrid HF/DFT calculations (e.g. B3LYP) in a Cartesian-Gaussian LCAO basis. All algorithms are O(N) or O(N log N) for non-metallic systems. Periodic boundary conditions in 1, 2 and 3 dimensions have been implemented through the Lorentz field (Γ-point), and an internal coordinate geometry optimizer allows full (atom+cell) relaxation using analytic derivatives. Effective core potentials for energies and forces have been [Less]

992K lines of code

0 current contributors

over 7 years since last commit

2 users on Open Hub

Inactive
0.0
 
0 Reviews
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Mostly written in Fortran (Fixed-format)
Licenses: gpl3_or_l...
Tags c fortran fortran95 moleculardynamics quantumchemistry reactionpath science scientificcomputing

McCode

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  Analyzed 4 months ago

McStas and McXtrace are ongoing projects to create a general tool for simulating neutron (McStas) and X-ray (McXtrace) scattering instruments. The two code variants are distributed independently, but share as much infrastructure and tools as possible. Together they are known under the name of ... [More] McCode. Both McStas and McXtrace are based on a code-generation mechanism where a high-level specification language defines the instrument to be simulated and the mcstas/mcxtrace code generator produces C code that performs the Monte Carlo Simulation. McStas and McXtrace both come with comprehensive manuals and a libraries of well-tested components that include most standard elements of neutron- and X-ray- scattering instruments respectively. [Less]

2.17M lines of code

9 current contributors

4 months since last commit

2 users on Open Hub

Activity Not Available
5.0
 
0 Reviews
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Mostly written in Postscript
Licenses: GPL2
Tags bison c dtu flex ill linux mac matlab montecarlo neutron neutrons nexus 7 more...

preCICE

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  Analyzed about 17 hours ago

preCICE stands for Precise Code Interaction Coupling Environment. Its main component is a library that can be used by simulation programs to be coupled together in a partitioned way, enabling multi-physics simulations, such as fluid-structure interaction.

111K lines of code

16 current contributors

4 days since last commit

2 users on Open Hub

High Activity
0.0
 
0 Reviews
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Mostly written in C++
Licenses: lgpv3_or_...
Tags c++11 calculix co-simulation coupling engineering fenics fluent fsi hpc mpi multiphysics OpenFOAM 6 more...

Java Algebra System

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  Analyzed about 4 hours ago

The Java Algebra System (JAS) is an object oriented, type safe and multi-threaded approach to computer algebra. JAS provides a well designed software library using generic types for algebraic computations implemented in the Java programming language. The library can be used as any other Java ... [More] software package or it can be used interactively or interpreted through an jython (Java Python) front end. The focus of JAS is at the moment on commutative and solvable polynomials, Groebner bases and applications. By the use of Java as implementation language JAS is 64-bit and multi-core cpu ready [Less]

403K lines of code

1 current contributors

10 months since last commit

1 users on Open Hub

Very Low Activity
5.0
 
0 Reviews
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Mostly written in Java
Licenses: gpl, lgpl21_or...
Tags algebra educational_software engineering java non_commutative parallelcomputing scientific scientificcomputing

Force Field X

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  Analyzed about 19 hours ago

Force Field X (FFX) is a group of open source (GPL v. 3 with Linking Exception), platform independent modules for molecular biophysics. Key methods include: 1) Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force fields 2) Particle-mesh Ewald (PME) electrostatics with ... [More] support for space group symmetry 3) Generalized Kirkwood continuum electrostatics 4) Single and Dual-Topology Orthogonal Space Random Walk (OSRW) free energy methods 5) L-BFGS, Simulated Annealing and Dead-End Elimination optimization algorithms 6) Reciprocal space refinement for X-ray and Neutron Diffraction data sets 7) Real space refinement for X-ray Diffraction, Neutron Diffraction and CryoEM data sets 8) Shared memory, cluster parallel and coprocessor based parallelization strategies [Less]

368K lines of code

9 current contributors

3 days since last commit

1 users on Open Hub

Moderate Activity
5.0
 
0 Reviews
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Mostly written in Java
Licenses: gpl_class...
Tags drug-design gpu java molecular-dynamics molecular-modelling molecular-simulation parallel protein protein-kinase protein-structure scientific-computing scientificcomputing 2 more...

SPECFEM3D GLOBE

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  Analyzed about 13 hours ago

SPECFEM3D_GLOBE simulates global and regional (continental-scale) seismic wave propagation. Effects due to lateral variations in compressional-wave speed, shear-wave speed, density, a 3D crustal model, ellipticity, topography and bathymetry, the oceans, rotation, and self-gravitation are all included.

312K lines of code

8 current contributors

5 days since last commit

1 users on Open Hub

Moderate Activity
0.0
 
0 Reviews
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Mostly written in Fortran (Free-format)
Licenses: gpl
Tags 3d fortran geophysics scientificcomputing simulation spectralmethods sphericalgeometry

ShoveRand

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  Analyzed about 14 hours ago

Pseudo-Random Number Generation library for GPGPU. ShoveRand provides both implementations of Pseudo-Random Number Generators for GP-GPU and also a framework allowing developers to easily add their own PRNGs to ShoveRand.

1.48K lines of code

0 current contributors

over 11 years since last commit

1 users on Open Hub

Inactive
0.0
 
0 Reviews
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Mostly written in C++
Licenses: No declared licenses
Tags cuda gpu gpucomputing gpuprogramming mersennetwister parallel parallelcomputing parallelprogramming prng pseudorandomnumber random randomgenerator 6 more...