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A tool for retrosynthetic planning
Open source code for AlphaFold.
Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
CH485 - Artificial Intelligence and Chemistry
Population-based De Novo Molecule Generation, Using Grammatical Evolution
A python package for chemical space visualization.
github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
Official repository for the Deep Docking protocol
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
Implementation of Shape and Electrostatic similarity metric in deepFMPO.
DeltaVina scoring function
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
Scoring of shape and ESP similarity with RDKit
Fusion models for Atomic and molecular STructures (FAST)
Foreign LINUX - Run unmodified Linux applications inside Windows.
graph generative model for molecule
Graph neural networks for molecular design.
핸즈온 머신러닝 2/E의 주피터 노트북
Google Colab Tutorials for IBM3202
idock is a multithreaded virtual screening tool for flexible ligand docking for computational drug discovery.
LABODOCK: A Colab-Based Molecular Docking Tools
Deep generative models of 3D grids for structure-based drug discovery
Interfacing RDKit and AutoDock
PIGNet source code
Practical Cheminformatics Tutorials
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.