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The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
Learning Resources And Links Of Machine Learning(updating)
计算机书籍整理
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
blogpost notebooks
Message Passing Neural Networks for Molecule Property Prediction
Sample code for Constrained Graph Variational Autoencoders
深度学习与PyTorch入门实战视频教程 配套源代码和PPT
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DeltaVina scoring function
Descriptor computation(chemistry) and (optional) storage for machine learning
Python package built to ease deep learning on graph, on top of existing DL frameworks.
AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
MGA
active learning for accelerated high-throughput virtual screening
a molecular descriptor calculator
Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
《神经网络与深度学习》 邱锡鹏著 Neural Network and Deep Learning
List of molecular design using Generative AI and Deep Learning
Strategies for Pre-training Graph Neural Networks
JULYEDU PyTorch Course
This is a tutorial for PyTorch Geometric on the YooChoose dataset
pytorch handbook是一本开源的书籍,目标是帮助那些希望和使用PyTorch进行深度学习开发和研究的朋友快速入门,其中包含的Pytorch教程全部通过测试保证可以成功运行
Simple PyTorch Tutorials Zero to ALL!
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.