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Name: Mao Jiashun
Type: User
Company: yonsei university
Bio: I am working in ML and DL, computational biology, QSAR, bioinformatics. a PhD student
Name: Mao Jiashun
Type: User
Company: yonsei university
Bio: I am working in ML and DL, computational biology, QSAR, bioinformatics. a PhD student
Official repo for QHack—the quantum machine learning hackathon
一个简单的条码扫描系统
The diversity of RNA structural elements and their documented role in human diseases make RNA an attractive therapeutic target. However, progress in drug discovery and development has been hindered by challenges in the determination of high-resolution RNA structures and a limited understanding of the parameters that drive RNA recognition by small molecules, including a lack of validated quantitative structure-activity relationships (QSAR). Herein, we developed QSAR models that quantitatively predict both thermodynamic and kinetic-based binding parameters of small molecules and the HIV-1 TAR model system. Small molecules bearing diverse scaffolds was screened against the HIV-1 TAR using surface plasmon resonance. Then multiple linear regression (MLR) combined with feature selection was performed to afford robust models that allowed direct interpretation of properties critical for both binding strength and kinetic rate constants. These models were externally validated with new molecules and their accurate performance confirmed via comparison to ensemble tree methods.
A QSAR model with public data or your local data, The model utilises molecular descriptors as the independent variable, bioactivity as the dependent variable, random forest as a mathematical model.
Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Modelling simple atoms and 87Rb in cavity-QED.
The official sources for the RDKit library
Modification of the code of Rajarshi Guha (which uses OECHem) to use RDKIT.
A collection of cheminformatics scripts that use rdkit
Tutorials to learn how to work with the RDKit
rdkit_examples
rdkit总结与实践
A smart popover component for React
Small range of face recognition
Some algorithms about traditional and social recommendation.
Recommender Systems
Python scripts to create reference genome files (e.g. Genbank) from various inputs (e.g. vcf)
Reformer, the efficient Transformer, in Pytorch
My works related to refractiveindex.info database. Database with python scripts allowing
Database of optical constants
Python scripts for refractiveindex.info database
SQLite wrapper for the refractiveindex.info database.
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.