calcraven Goto Github PK
Type: User
Company: Vanderbilt University
Bio: Graduate Student
Location: Nashville, TN
Type: User
Company: Vanderbilt University
Bio: Graduate Student
Location: Nashville, TN
Materials for the MoSDeF workshop at CECAM
Rapid overview of molecular simulation
Qudi used for fiber shooting experiment
MISC Utilities for MOSDEF Forcefields conversion
A package for atom-typing as well as applying and disseminating forcefields
Flexible storage of chemical topology for molecular simulation
Take any General Molecular Simulation Object (GMSO) and create an interactive visualization.
Interactive demo/tutorial of current GMSO features and design decisions.
A hierarchical, component based molecule builder
Cookiecutter for mBuild recipes
A conda-smithy repository for mbuild.
Build a spherical nanoparticle with tethered chains
A set of tutorials to introduce new users to mBuild
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Data and code for creating daily COVID-19 metrics for Missouri
MoSDeF-dihedral-fit: A simple software package to fit dihedrals via the MoSDeF software
MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC
Umbrella Website for MoSDeF
Sample molecular simulation workflows using a MoSDeF and community tools
Collection of tutorials and example workflows for MoSDeF workshop at FOMMS 2022
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
Take an OPLSAA forcefield and apply it to an mbuild molecule to check which molecules are having issues
Isomorphism testing and automorphisms of graphs
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.
mBuild recipe to create different surface coating structure.
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.