rdguha1995 Goto Github PK
Type: User
Company: Lawrence Berkeley National Laboratory
Bio: Postdoctoral researcher interested in everything which connects chemistry to the computers.
Location: Berkeley
Type: User
Company: Lawrence Berkeley National Laboratory
Bio: Postdoctoral researcher interested in everything which connects chemistry to the computers.
Location: Berkeley
atomate is a powerful software for computational materials science and contains pre-built workflows.
atomate2 is a library of computational materials science workflows
A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website. Project led by @mkhorton.
A simple, robust and flexible just-in-time job management framework in Python.
Be a master builder of databases of material properties. Avoid the Kragle.
Cloning the Feff10 repository for my PDK calculations
A codebase for classical molecular dynamics (MD) simulation setup and results analysis.
An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
A Pymatgen IO module for setting up OpenMM simulations.
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.