orientalcds Goto Github PK
Type: User
Type: User
Official Python client for accessing ChEMBL API.
Calculation of Molecular descriptors
Message Passing Neural Networks for Molecule Property Prediction
Sample code for Constrained Graph Variational Autoencoders
github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
Python package built to ease deep learning on graph, on top of existing DL frameworks.
An exploration strategy improves the diversity of de novo drug design using deep reinforcement learning
Generative Tensorial Reinforcement Learning (GENTRL) model
Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925
GraphVite: A General and High-performance Graph Embedding System
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Novel molecules from a reference shape!
Implementation of Lilly Medchem Rules - J Med Chem 2012
semi-supervised learning for molecular property prediction
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
Code repo for optimizing distributions of molecules.
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
Deep Reinforcement Learning for de-novo Drug Design
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
Consolidated repository for Scaffolding Graph Comprehension project stimulus and analysis code
code for Syntax-Directed Variational Autoencoder that generates programs and molecues
Solv@TUM - The Solvation Free Energy Database
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.