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Name: Violet
Type: User
Bio: Tokyo University
Name: Violet
Type: User
Bio: Tokyo University
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
An atom-bond transformer-based message passing neural network for molecular property prediction.
🧑🏫 59 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠
Awesome graph-level learning methods. Collections of commonly used datasets, papers as well as implementations are listed in this github repository. We also invite researchers interested in graph representation learning, graph regression and graph classification to join this project as contribut…
A python package for chemical space visualization.
Message Passing Neural Networks for Molecule Property Prediction
DeepMol: a python-based machine and deep learning framework for drug discovery
Graph Neural Networks for Drug Efficacy Prediction
a pytorch implementation of Exploiting Edge Features in Graph Neural Networks.
Explainer for black box models that predict molecule properties
A Graph Neural Network project on HIV data
Comparing graph representations for molecular features prediction
PyTorch Implementation and Explanation of Graph Representation Learning papers: DeepWalk, GCN, GraphSAGE, ChebNet & GAT.
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.
Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
Listing of papers about machine learning for proteins.
Message-Passing Neural Network for Chemistry
Our own implementation of Neural Message Passing for Computer Vision paper
This repository will houses data and code used to build odorous/odorless classification models, draw borders of olfactory space, and estimate the number of possible odorants.
Code for our paper "Attending to Graph Transformers"
Code for the ProteinMPNN paper
Pytorch implementation of the Graph Attention Network model by Veličković et. al (2017, https://arxiv.org/abs/1710.10903)
Graph Convolutional Networks in PyTorch
Implementation of paper "Matching receptor to odorant with protein language and graph neural networks"
Classifying and understanding molecule scent with GNN.
Transformer-based Spectral Graph Neural Networks
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.