phenylazide Goto Github PK
Name: phenylazide
Type: User
Bio: interest in AI, working in drug discovery and development
Name: phenylazide
Type: User
Bio: interest in AI, working in drug discovery and development
Python source code for 3D/MI/QSAR models
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
Atoms In Molecules Neural Network Potential
Identify novel allosteric binding sites on a query protein, utilizing additional proteins with similar sequence and structure.
An implementation of the DeepMind's AlphaFold based on PyTorch for research
Retrieve analogs given a query molecule (sdf) and a database (sdf)
Case study analysis of publicly available AstraZeneca data sets CHEMBL3301363 and CHEMBL3301365
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.
《R语言数据可视化之美》配套代码
Software for processing chemistry data
A new approach for representing biological sequences
Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets
A repository for the Carbohydrate Classification Accounting for Restricted Linkages (CCARL) tool.
AlphaZero implemented Chinese chess. AlphaGo Zero / AlphaZero实践项目,实现**象棋。
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
RDKit and OSRA in the Bottle on Tornado
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
A collection of small scripts and utilities that would otherwise float around in other repositories
Cloned from the chemopy google project
Message Passing Neural Networks for Molecule Property Prediction
Matrix factorization and deep learning for molecular property prediction
An introduction to machine learning for chemical property prediction
Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures of target compound with those found in other synthetic molecules.
中文医疗NLP领域 数据集,论文 ,知识图谱,语料,工具包
Sample code for Constrained Graph Variational Autoencoders
CoreMS is a comprehensive mass spectrometry framework for software development and data analysis of small molecules
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.