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This is a personal project on predicting solubility using Neural Network
Literature of deep learning for graphs in Chemistry and Biology
Deep learning in virtual screening, a review
Deep learning implementation of quantmap method
Deep Learning Fragment Generator
DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
Deep Learning Toolkit for Medical Image Analysis
Working with relational data models in R
Deep learning for molecules and materials book
Drive Molecule Viewer - The NGL molecule viewer with Google Drive integrations [WIP]
quantify lipid nanoparticle delivery to cells using DNA barcodes
Automatic oligonucleotide design for PCR-based gene synthesis
DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network
A convolutional neural network predicts the toxicity of a drug based on its molecular structure.
Conditional WGAN was used to improve protein solubility prediction performance of DNN by data augmentation.
This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands that are results of smina (vina) docking.
docker-compose + Django + RDKit database cartridge + PostgreSQL
docker-compose + JupyterNotebook + RDKit database cartridge + PostgreSQL
OSRA (Optical Structure Recognition Application) in Docker
Docker for reproducing solubility model
Molecular docking scoring
Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.
A package for MD, Docking and Machine learning drug discovery pipeline
This is a whole pipeline for molecular docking and interaction analysis.
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
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.