szquchen Goto Github PK
Name: Chen Qu
Type: User
Bio: PhD Chemistry Postdoc NIST
Name: Chen Qu
Type: User
Bio: PhD Chemistry Postdoc NIST
A GNN model that predicts normal boiling points of chemical substances
Computer Simulations department
Mass Spectrometry for Small Molecules using Deep Learning
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
ML classifier for Hamiltonian matrix elements
Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.
Graph deep learning library for materials
MBX is an energy and force calculator for many-body models such as the MB-pol model of water.
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Fitting potential energy surface using monomial symmetrization approach
MSA--Bowman Group
Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RASSP)
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.