yzhang1996 Goto Github PK
Name: YZHANG
Type: User
Bio: PhD candidate @ UTokyo, Research Intern @ MSRA, Research Intern @ PFN
Name: YZHANG
Type: User
Bio: PhD candidate @ UTokyo, Research Intern @ MSRA, Research Intern @ PFN
Graph neural network potential with charge transfer
Molecule Design using Monte Carlo Tree Search with Neural Rollout
DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)
Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as material design, drug discovery, etc.
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Neural Network Force Field based on PyTorch
Code for training PhysNet models
A cross-dataset benchmark of training models on QM9 dataset and testing on ALchemy datasets with Larger molecular size (QMALL)
Quantum deep field for molecule
SchNetPack - Deep Neural Networks for Atomistic Systems
Neural network potentials based on graph neural networks and equivariant transformers
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.