mrshirts Goto Github PK
Name: Michael Shirts
Type: User
Company: University of Colorado Boulder
Location: Boulder, CO
Name: Michael Shirts
Type: User
Company: University of Colorado Boulder
Location: Boulder, CO
A simple repo demonstrating the use of Travis CI and Readthedocs for the Shirts group meeting
the simple alchemistry library
Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)
Manuscript for first paper on process using Bayesian inference to fully automate classical mechanics force field parameterization
Tools to build coarse grained models and perform simulations with OpenMM
This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.
Conditional Flow Matching: Simulation-Free Dynamic Optimal Transport
Github repository for the LiveCoMS tutorial of the continuous constant pH molecular dynamics method
Tools to model folding and evaluate thermodynamic properties for polymers and oligomers
Experimental and calculated small molecule hydration free energies
Ananke: A theme for Hugo Sites
Example site to use with Hugo & Hugo Themes
Conversion tool for molecular simulations
Information and documents supporting the work of the Living Journal of Computational Molecular Sciences (LiveCoMS)
Skipping the replica exchange ladder with normalizing flows
GitHub Pages site for Living Journal of Computational Molecular Science
Merging the MBAR and ITIC methodologies to optimize a TraPPE force switch model
This repository is designed to compare the MBAR results that are obtained for the Lennard-Jones representation of methane using configurations from 92 states and from just a single state.
Datasets for open forcefield parameterization and development
For discussing and aggregating data for force field development
:triangular_ruler: A flexible two-column Jekyll theme. Perfect for personal sites, blogs, and portfolios hosted on GitHub or your own server.
Tools for open forcefield development
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.