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BlueDesc Molecular Descriptor Calculator
Python wrapper for BlueDesc descriptors
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
Python wrapper for CDK molecular descriptors and fingerprints
Cloned from the chemopy google project
Descriptor computation(chemistry) and (optional) storage for machine learning
Modified version of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
Enumerate hetereocycles, stereoisomers, tautomers and SMILES
Code to reproduce the results of the paper "FoldHsphere: Deep Hyperspherical Embeddings for Protein Fold Recognition"
A tool to create well-balanced data splits for multi-task learning
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real number descriptors.
Python wrapper for jCompoundMapper molecular fingerprints
Library for the classification and nomenclature of active and inactive protein kinase structures
Library for the classification and nomenclature of active and inactive protein kinase structures
The MinHashed Atom Pair fingerprint of radius 2
An open library for the analysis of molecular dynamics trajectories
Applicability domains for cheminformatics models
Python wrapper for Mold2 descriptors
Identifying silly molecules
a molecular descriptor calculator
Open Drug Discovery Toolkit
Python wrapper for the PaDEL descriptors
Machine learning modelling results of the Papyrus dataset (Leiden)
Papyrus dataset structure pipeline
A cheminformatics package to identify amino acid polymers
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.