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Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Hierarchical Generation of Molecular Graphs using Structural Motifs
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
MoFlow: an invertible flow model for generating molecular graphs
Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert
This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
A Python 3 framework for Reservoir Computing with a scikit-learn-compatible API.
A Universal 3D Molecular Representation Learning Framework
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.