ruihwang Goto Github PK
Name: Ruihan Wang
Type: User
Bio: I am currently a Ph.D candidate in the College of Chemistry, Sichuan University.
Name: Ruihan Wang
Type: User
Bio: I am currently a Ph.D candidate in the College of Chemistry, Sichuan University.
Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials
Crystal graph convolutional neural networks for predicting material properties.
MoleculeNet benchmark dataset & MolMapNet dataset
Message Passing Neural Networks for Molecule Property Prediction
Python source code for high-throughput screening of a MOF database (containing .cif files) to find matching MOFs for a given cross-linker.
Deep learning for rapid characterization of porous materials
DScribe is a python package for creating machine learning descriptors for atomistic systems.
DEPRECATED. Charge equilibration method for crystal structures
Version 2.0
Unsupervised learning of atomic scale dynamics from molecular dynamics.
Data mining for materials science
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two major modifications were made to the original CGCNN algorithm.The new pooling method mainly depends on the SBUs to describe the local chemical environment around the metal sites. Considering certain adsorbates dominated by cage window sites, we incorporated certain intrinsic structural features, e.g., PLD, LPD, φ, and AV, to the CGCNN algorithm.
Determining the chemical stability of MOFs with machine learning
predicting charges on MOF atoms via a message passing MOFs
featurizing MOFs for the oximachine
Paddle Graph Learning (PGL) is an efficient and flexible graph learning framework based on PaddlePaddle
NO LONGER UPDATED. Use the official repository.
SchNet - a deep learning architecture for quantum chemistry
Toluene_Adsorption in MOF-CGCNN
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.