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Name: Jie Zhang
Type: User
Name: Jie Zhang
Type: User
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
https://chenxingqiang.github.io/Awesome_AI_Aided_Drug_Design_Papers/
CReM: chemically reasonable mutations framework
Benchmark set for relative free energy calculations.
Genetic algorithm tutorial for Python
Hierarchical Generation of Molecular Graphs using Structural Motifs
Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
A molecule generative model used interaction fingerprint (docking pose) as constraints.
Deep generative models of 3D grids for structure-based drug discovery
A code to predict atomic NMR chemical shift based GCN and QM calculation
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
A Transformer Based VAE Architecture for De Novo Molecular Design
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.