FAUNUS: A Molecular Simulation Framework download

FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.

Features

NVT, NpT, NmuT Ensembles
Multiscale modelling of proteins
Molecular Monte Carlo Simulation of Proteins
Proton Titration of Proteins (constant pH simulations)
Highly Object Oriented Design

Project Samples

Free energy of interaction between macro-molecules

Lysozyme mass center distribution outside a fab fragment

Project Activity

See All Activity >

License

GNU General Public License version 2.0 (GPLv2)

Follow FAUNUS: A Molecular Simulation Framework

FAUNUS: A Molecular Simulation Framework Web Site

Other Useful Business Software

Gen AI apps are built with MongoDB Atlas

Build gen AI apps with an all-in-one modern database: MongoDB Atlas

MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.

Start Free

Rate This Project

User Reviews

Be the first to post a review of FAUNUS: A Molecular Simulation Framework!

Additional Project Details

Operating Systems

BSD, Linux, Mac

Intended Audience

Advanced End Users, Developers, Science/Research

User Interface

Command-line

Programming Language

C++, Python

Related Categories

Python Molecular Science Software, Python Simulation Software, Python Chemistry Software, C++ Molecular Science Software, C++ Simulation Software, C++ Chemistry Software

Registered

2007-05-14

Similar Business Software

Innoslate

SPEC Innovations’ flagship model-based systems engineering solution can help your team reduce time-to-market, cost, and risk on even some of the most complex systems. This cloud or on-premise application uses a modern web browser, with an intuitive graphical user interface. Innoslate’s full...

See Software
ActCAD Software

ActCAD is a native dwg/dxf cad software suitable for professional 2D drafting and 3D modeling projects. ActCAD is trusted by over 30000 users in over 103 countries for more than 10 years. The interface, commands, icons, dialogs, shortcuts etc. are very much similar to other popular cad software...

See Software
SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
Dronedesk

Are you wasting hours on drone flight planning? Still using spreadsheets, doc templates, and paper checklists? If so, it's time to switch to Dronedesk, the web-based drone operations management application that makes planning safe drone flights super-efficient. Dronedesk does all the...

See Software
AvPro Software

AvPro Software is comprehensive and easy-to-use. It's perfect for Aircraft MRO, Certified Repair Station (CRS), Aircraft Operators, and parts brokers. You can track Aircraft Parts I(nventory, Work Orders, and much more. Modular in nature and specifically designed for aircraft maintenance...

See Software
Altium Develop

Altium Develop is a multidisciplinary product creation platform that breaks down silos and empowers teams to design collaboratively without limits. Built on Altium Designer and Altium 365, it unifies electrical, mechanical, software, sourcing, and manufacturing teams in a shared environment....

See Software