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Open Drug Discovery Toolkit

Python 412 119 Updated Dec 13, 2022

An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery

43 9 Updated Sep 17, 2019

This repository contains setup instructions and the notebooks for the AI in drug discovery workshops

Jupyter Notebook 12 8 Updated Mar 1, 2023

The project outlines using Bioinformatics, AI and Quantum Machine Learning to find Acetylcholinesterase (AChE) inhibitors as targets in Alzheimer’s disease (AD).

Jupyter Notebook 11 12 Updated Sep 3, 2023

Awesome AI-aided Drug Discovery

12 3 Updated Jun 6, 2024

Foster the development of impactful AI models in drug discovery.

Python 82 4 Updated Sep 26, 2024

机器学习相关教程

Python 11,748 5,706 Updated Dec 22, 2020

Your new Mentor for Data Science E-Learning.

Jupyter Notebook 13,923 2,487 Updated Mar 1, 2024

深度学习入门教程, 优秀文章, Deep Learning Tutorial

Jupyter Notebook 14,108 3,509 Updated Apr 21, 2022

🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.

Python 132,703 26,444 Updated Sep 28, 2024

Tensors and Dynamic neural networks in Python with strong GPU acceleration

Python 82,521 22,208 Updated Sep 29, 2024

A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

Python 185 54 Updated Mar 24, 2023

Deep generative models of 3D grids for structure-based drug discovery

Python 220 43 Updated Mar 10, 2023

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

Python 670 113 Updated Nov 26, 2023

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Python 708 87 Updated Sep 11, 2023

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

Jupyter Notebook 959 273 Updated Jun 10, 2024

A powerful and flexible machine learning platform for drug discovery

Python 1,427 199 Updated Aug 12, 2024

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Python 5,414 1,663 Updated Sep 20, 2024

TensorFlow 最佳学习资源大全(含课程、书籍、博客、公开课等内容)

Jupyter Notebook 1,134 334 Updated Jul 5, 2020

Research repo for AI aided drug discovery, de novo drug development and related topics

33 6 Updated Jan 4, 2022

A collection of drug discovery, classification and representation learning papers with deep learning.

37 11 Updated Nov 15, 2021

A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.

169 62 Updated Sep 7, 2023

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

Python 77 18 Updated May 3, 2024

Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!

Python 37,997 7,301 Updated Nov 27, 2022

LeetCode Solutions: A Record of My Problem Solving Journey.( leetcode题解,记录自己的leetcode解题之路。)

JavaScript 54,515 9,452 Updated Aug 12, 2024

✅ Curated list of resources for college students

17,387 4,513 Updated May 2, 2024

📊 Path to a free self-taught education in Data Science!

18,895 3,321 Updated Aug 25, 2024

《机器学习理论导引》(宝箱书)的证明、案例、概念补充与参考文献讲解。

1,525 184 Updated Sep 25, 2024

免费学代码系列:小白python入门、数据分析data analyst、机器学习machine learning、深度学习deep learning、kaggle实战

Jupyter Notebook 3,038 480 Updated Jul 5, 2019
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