layeqa Goto Github PK
Type: User
Twitter: Clark45657011
Location: Bayamón, Puerto Rico
Type: User
Twitter: Clark45657011
Location: Bayamón, Puerto Rico
Scripts to set-up and run simulations composed of mixtures of insoluble molecules and dye.
Tautomer ratios in solution
A DSL for data-driven computational pipelines
A simple control-flow library for Node.js targetted towards CoffeeScript developers.
Test Anything Protocol tools for node
Nonequilibrium kinetic modeling of amino acid rotary motors
NWChem: Open Source High-Performance Computational Chemistry
Find TIS layers from MSM in dynamical systems
Official repository for OpenAlea and OpenAleaLab. Other repos in the openalea organization contain things like the website, documentation, projects, etc.
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Force fields produced by the Open Force Field Initiative
A molecular system object from the Open Force Field Initiative
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Optimization of OpenFF parameters using ForceBalance and QCArchive
An application for configuring and running simulations with OpenMM
Miscellaneous tests for OpenMM
Tutorials using new features in OpenMM 7
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
A general Markov chain Monte Carlo framework for OpenMM.
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
An open set of tools for automating tasks relating to small molecules
An open source Python framework for transition interface and path sampling calculations.
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
Orphaned tools/scripts that might be useful but don't currently have a good home
This code attempts to predict the influence of osmolytes on protein stability
A set of modules for advanced analysis of molecular structures and MD trajectories using the OpenStructure (http://www.openstructure.org) software.
Advanced toolkit for binding free energy calculations
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.