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Name: Weilin.Yuan
Type: User
Company: University of Tokyo
Twitter: watakushiwaen
Location: Japan
Name: Weilin.Yuan
Type: User
Company: University of Tokyo
Twitter: watakushiwaen
Location: Japan
AutoMDOptimizer is an automated tool for Molecular Dynamics simulations. Using a data-driven model, it predicts computational time and quality based on input parameters. The goal is to find efficient settings for new molecules, saving time and improving simulation quality.
Tools for visualization in cheminformatics
Refined and extended version of ChemTS
Differentiable, Hardware Accelerated, Molecular Dynamics
Python implementation of the paper "Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions".
A curated collection of convenient and interesting use cases, tips, and tricks for working with the RDKit cheminformatics library.
Embedding representation of polymer derived from PI1M dataset
Specialized selfies version for encoding and decoding polymer smiles.
Radonpy-based Tool for All-Atom Molecular Dynamics Simulations of Polymer-Solvent Systems
Toolkit for running psi4
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.