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Based on Support Vector Machines (SVM), Morgan's circular Fingerprints to predict PIC50 values
Approaching (Almost) Any Machine Learning Problem
Chemoinformatics projects
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.
CheTo - Chemical Topic Modeling
Compilation of R and Python programming codes on the Data Professor YouTube channel.
Jupyter notebooks for the code samples of the book "Deep Learning with Python"
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Repository of codes and data for Estrogen Receptor Alpha QSAR modeling
Efficiently calculate 3D-atomic/molecular features for quantitative structure-activity relationship approaches.
Contains notebooks which can explain machine learning problem on examples
Código Python, Jupyter Notebooks, archivos csv con ejemplos para los ejercicios del Blog aprendemachinelearning.com y del libro Aprende Machine Learning en Español
Completely free access list of resources to learn machine learning and deep learning👨🏻💻🚀
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
Scripts used to build the dataset used for the MD QSAR analysis.
Machine learning notebooks and code used for demonstration purposes
ML MultiClass Classification with GridSearchCV and 10 Fold Cross-Validation ( Regularised Logistic Regression, KNN, SVM,
A package to identify matched molecular pairs and use them to predict property changes.
see README.md
a molecular descriptor calculator
Open Drug Discovery Toolkit (ODDT) Notebooks 101
Open Drug Discovery Toolkit
Prediction of intravenous pharmacokinetic parameters, including fu, MRT, t1/2, VD and CL, by training on 1352 compounds.
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.