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Code for "A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network" (https://doi.org/10.1021/acsomega.1c06274)
Learning models on a data set containing values for 41 attributes (molecular descriptors) used to classify 1055 chemicals into 2 classes (ready and non-ready biodegradable)
Open source bioinformatics and computational biology toolbox written in F#.
Bioinformatics data analysis and visualization toolkit
Web-app to calculate the molecule's descriptors like molecular weight, Dihedral Angles, Solubility by taking the input in SMILES notation
Bioinformatics with Python Cookbook Second Edition, published by Packt
minimal example implementations for bioinformatics workflow managers
generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
The Biomolecular Design Database Project is a web application that allows users to share, search and use nucleic acid nanotechnology designs. This includes DNA Origami, RNA Origami, DNA Bricks and many other types of systems.
Prediction of biological activity for nuclear receptors
Demonstrating best practices for bioinformatics command line tools
Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
An R package to create common outputs used in bioinformatical analyses and visualisations
An R package for analyses of bioassays and probit graphs
Cool Bioinformatics Scripts
bunch of scripts for homology modeling and molecular dynamics
A Toolbox for Manipulating Biological Sequences in R
Code for "Biological Sequence Design with GFlowNets", 2022
A comprehensive library for computational molecular biology
A list of useful bioinformatics resources
Bayesian Inference for Substance and Chemical Toxicity
Fast clustering of long Molecular Dynamics
BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics on graphical processor units.
Compute characteristics and plots for blinded sample size recalculation
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.