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【干货】史上最全的PyTorch学习资源汇总
Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
A simple Minecraft clone written in C using modern OpenGL (shaders).
Python based scripts for D3R grand challenge 2 analysis
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Tensorflow implementation of "DeepDTA deep drug-target binding affinity prediction"
Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano
DeltaVina scoring function
Tensorflow2.0 🍎🍊 is delicious, just eat it! 😋😋
Flexible Artificial Intelligence Docking
A deep learning framework for molecular docking
IsoMif Development
【互联网一线大厂面试+学习指南】
Code and data for reproducing the results of machine-learning vs classical scoring functions on a similarity-based benchmark
Molecular docking scripts for virtual screening studies
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
《神经网络与深度学习》 邱锡鹏著 Neural Network and Deep Learning
Open Drug Discovery Toolkit
A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Project Home repo for Central Dockerfile and Project-wide issues
P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
Protein target prediction using random forests and reliability-density neighbourhood analysis
All Algorithms implemented in Python
Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
Tools for using R with AppVeyor (https://appveyor.com)
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.