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Name: Daniel R. Roe
Type: User
Name: Daniel R. Roe
Type: User
A decoy set of 4000 Ala10 (ACE-A10-NH2) structures generated during 4 Thermodynamic Integration (TI) runs at 300 K.
Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber.
Parameters compatible with Amber/LEaP
Biomolecular simulation trajectory/data analysis.
action-closest core
Dummy CPPTRAJ repo solely for testing with LGTM
Automatically generate input for running M-REMD simulations (and more) in Amber.
helPME: an efficient library for particle mesh Ewald
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Parameter/topology editor and molecular simulator
Python API for cpptraj: a data analysis package for biomolecular simulation
Wrapper script for 'tleap' to solvate a system with specific number of water molecules.
For testing any issues that crop up with GitHub Actions.
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.