medford-group Goto Github PK
Name: Medford Group
Type: Organization
Bio: Computational chemistry, data science, and catalysis
Location: Georgia Institute of Technology
Blog: medford.chbe.gatech.edu
Name: Medford Group
Type: Organization
Bio: Computational chemistry, data science, and catalysis
Location: Georgia Institute of Technology
Blog: medford.chbe.gatech.edu
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
ase interface for Quantum Espresso
A simple ASE calculator for psi4
A simple ase interface to fireworks
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Scripts and data for uncertainty quantification using conformal prediction paper.
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
Public portion of COE 3803 "Data Analytics for Engineers" course at Georgia Tech.
Training materials for computing adsorption energies and other quantities with DFT
ElectroLens is a visualization tool that provides a lens into the black-box of machine-learning models for electronic structure. The tool provides a real-time connection between Cartesian space and parameter spaces of arbitrarily high dimensions. This enables improved understanding of how machine-learning models work, and facilitates diagnosis of errors and discovery of new strategies for improving the approaches.
Test scripts for GMP featurization scheme using AmpTorch
Data management functionality for group data. Passes data between database, supercomputer, etc.
Kinetics-Informed Neural Networks
A barebones interface for lammps
Repository for screening data
Training materials for neural network force fields
Nearest Neighbour Based Subsampling Algorithm for Uniform Subsampling
Tools for converting from DFT codes into PIF objects
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.