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Name: z-linlinlin
Type: User
Name: z-linlinlin
Type: User
A tool for retrosynthetic planning
open toolbox for structural comparison
Message Passing Neural Networks for Molecule Property Prediction
Descriptor computation(chemistry) and (optional) storage for machine learning
Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
Novel molecules from a reference shape!
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
A package to identify matched molecular pairs and use them to predict property changes.
active learning for accelerated high-throughput virtual screening
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Strategies for Pre-training Graph Neural Networks
Pointwise Rotation-Invariant Network
Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
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.