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Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
Molecular vectorization and batch generation
**大学李宏毅老师机器学习
Protein modeling learning environment for deep reinforcement purpose.
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
PyTorch implementations of Generative Adversarial Networks.
Retrosynthesis by template prediction (a la Segler and Waller)
关于c++的一些小型项目
Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.
The Databases for Drug Discovery (DDD)
A simple and useful blockchain instance for learning blockchain technology.
Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/
Manipulating VASP files with Python.
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.