Search Results for "molecular dynamics simulation"
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Showing 133 open source projects for "molecular dynamics simulation"
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JSBSim
An open source flight dynamics & control software library
JSBSim is a multi-platform, general purpose object-oriented Flight Dynamics Model (FDM) written in C++. The FDM is essentially the physics & math model that defines the movement of an aircraft, rocket, etc., under the forces and moments applied to it using the various control mechanisms and from the forces of nature. JSBSim can be run in a standalone batch mode flight simulator (no graphical displays a.k.a. console mode) for testing and study, or integrated with the Unreal engine, FlightGear and many other simulation environments. -
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MuJoCo
Multi-Joint dynamics with Contact. A general purpose physics simulator
MuJoCo, developed and maintained by Google DeepMind, is a high-performance physics engine designed for simulating complex, articulated systems that interact through contact. It is widely used in research fields such as robotics, biomechanics, computer graphics, animation, and machine learning, where fast and accurate physics simulations are essential. The engine provides a robust C API optimized for real-time computation, making it suitable for scientific research and advanced simulation... -
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foam-extend
Open Source CFD Toolbox
The foam-extend project is a fork of the OpenFOAM® open source library for Computational Fluid Dynamics (CFD). The goal of this project is to integrate community contributions to the foam-extend CFD simulation toolbox. It is an open project welcoming and integrating contributions from all users and developers. -
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oxDNA
A code primarily aimed at DNA and RNA coarse-grained simulations
The oxDNA code has been moved to https://github.com/lorenzo-rovigatti/oxDNA, please go there for new releases. -
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OpenFOAM
The Open Source CFD Toolbox
OpenFOAM - The Open Source CFD Toolbox. OpenFOAM is a generic, programmable software tool for Computational Fluid Dynamics (CFD). For more information, see: - Main Website: https://openfoam.org - C++ Source Documentation: https://cpp.openfoam.org - Issue (Bug) Tracking: https://bugs.openfoam.org - User Guide: https://cfd.direct/openfoam/user-guide -
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Flexe
The open source federated learning for vehicular network simulation
Flexe is a FL simulator designed for connected and autonomous vehicles (CAVs). It enables horizontal/vertical/transfer FL schemes and simulates realistic wireless and vehicular dynamics. Separate Python client (PyFlexe) available. -
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The goal of this project is to open the OpenFOAM CFD toolbox to community contributed extensions. Visit https://sourceforge.net/p/openfoam-extend/wiki/Home/ for more information. OPENFOAM(R) is a registered trademark of OpenCFD Limited.
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FEATool Multiphysics - FEA & CFD Toolbox
FEATool Multiphysics is an easy-to-use FEA and CFD Simulation Toolbox
...Moreover, native itegration with MATLAB and Python allows advanced simulation scripts and programmatic use cases such as in AI and machine learning [2]. [1]: https://www.featool.com/Easy-to-Use-OpenFOAM-GUI/ [2]: https://featool.com/model-showcase/2024-11-12-CFD-and-Flow-Prediction-Based-on-Deep-Learning -
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cfMesh
A library for polyhedral mesh generation
cfMesh is an open-source library for volume mesh generation based on OpenFOAM. It implements various meshing workflows for volume mesh generation needed for CFD simulations with OpenFOAM. It is already a part of foam-extend, OpenFOAM for Windows, Caelus and OpenFOAM+ released by ESI. This repository is intended for contribution and collaborative development. If you have a new meshing algorithm or interested in contributing to cfMesh, do not hesitate to contact us. Please note that... -
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CAMPARI
Software for molecular simulations and trajectory analysis
...Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at http://campari.sourceforge.net/V5 -
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Minsky
System dynamics program with additional features for economics
Minsky brings system dynamics and monetary modelling to economics. Models are defined using flowcharts on a drawing canvas (as are Matlab's Simulink, Vensim, Stella, etc). Minsky's unique feature is the "Godley Table", which uses double entry bookkeeping to generate stock-flow consistent models of financial flows. Minsky is good for demonstrating mathematics too, with the most "math-like" interface in system dynamics. Sign up to Minsky's Patreon page (for as little as $1 a month) at... -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry. ... -
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almost - all atom molecular simulation toolkit - is a fast and flexible molecular modeling environment that provides powerful and efficient algorithms for molecular simulation, homology modeling, de novo design and ab-initio calculations.
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Bullet Physics SDK
Real-time collision detection and multi-physics simulation for VR
This is the official C++ source code repository of the Bullet Physics SDK: real-time collision detection and multi-physics simulation for VR, games, visual effects, robotics, machine learning etc. We are developing a new differentiable simulator for robotics learning, called Tiny Differentiable Simulator, or TDS. The simulator allows for hybrid simulation with neural networks. It allows different automatic differentiation backends, for forward and reverse mode gradients. TDS can be trained... -
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QtJSBSim
A distributed flight sim and front end for JSBSim
This Qt5 app can send controls data to an instance of JSBSim standalone, and can read and display data from JSBSim. You can think of QtJSBSim as a simulator, with JSBSim as the flight dynamics model back end. For out-the-window visuals you can send data to FlightGear. -
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ROBOOP
Object oriented library in C++ for robotics simulation
This library (ROBOOP) is a C++ robotics object oriented programming toolbox suitable for synthesis, and simulation of robotic manipulator models in an environment that provides ``MATLAB like'' features for the treatment of matrices. Its is a portable tool that does not require the use of commercial software. A class named Robot provides the implementation of the kinematics, the dynamics and the linearized dynamics of serial robotic manipulators. -
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RenewNet Foundry
Building blocks for the renewable energy industry.
RenewNet Foundry is a repository for an integrated set of simulation components for system simulation of wind, wave and tidal energy systems. -
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VASPMO
Visualization of wavefunctions calculated by VASP (New release: v0.41)
VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of... -
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Tahoe is a research-oriented platform for the development of numerical methods and models for the simulation of complex material behavior.
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Makani
Makani was developed a commercial-scale airborne wind turbine
...This open-source repository contains the complete software stack that powered Makani’s research and flight systems, including the flight simulator, autopilot controller, avionics firmware, visualization tools, and ground control software. The software enables simulation, control, and analysis of the Makani M600 turbine system, designed to operate offshore and autonomously manage complex aerodynamic behaviors. Built primarily in C++ and Python, the codebase integrates real-time flight control, sensor fusion, aerodynamic modeling, and telemetry visualization. The project also provides comprehensive simulation environments for studying airborne wind power systems and flight dynamics. ... -
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RMGDFT
Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on... -
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Molecular Dynamics Studio
Molecular Dynamics Cell Construction
This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. ... -
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C++QED
A framework for simulating open quantum dynamics
C++QED is an application-programming framework for simulating open quantum dynamics in general. It has demonstrated the ability to simulate full Master equation of up to several thousand, and quantum trajectories of up to several hundred thousand dimensions. The basic idea is to allow users to build arbitrarily complex interacting quantum systems out of free subsystems and interactions (elements), and simulate their time evolution with a number of available time-evolution... -
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The openFuelCell project is a forum to develop open source computational fluid dynamics (CFD) software to model fuel cells. Fuel cells http://en.wikipedia.org/wiki/Fuel_cell are devices that convert hydrogen and oxygen to water and electricity, and are promising renewable energy conversion devices. Computational fluid dynamics tools are used to size and rate fuel cell systems. OpenFoam is an open source CFD toolbox, available for downloading at http://www.openfoam.com/, written in C++ and...
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PMCGPU
Parallel simulators for Membrane Computing on the GPU
Membrane Computing is a new research area (within Natural Computing) that aims to provide computing devices abstracted from the functioning and structure of living cells. These devices are called P systems. The objective of this project (PMCGPU) is to bring together all the researchers working on the development of parallel simulators for P systems, specially those using the GPU (e.g. CUDA, OpenCL, etc). Other parallel platforms are also welcome (multicore and manycore, FPGAs,...
