Stars
A generative model for programmable protein design
QSAR models and data used for MAO-A and MAO-B virtual screening.
"This is a 3-course Machine Learning Series, taught by Professor Charles Isbell (Georgia Tech) and Professor Michael Littman (Brown University). It covers three topics: supervised learning, unsuper…
AIDD Tutorial Files，人工智能药物设计教程相关文件
This repository contains setup instructions and the notebooks for the AI in drug discovery workshops
Stock market analyzer and predictor using Elasticsearch, Twitter, News headlines and Python natural language processing and sentiment analysis
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies
A Python library for structural cheminformatics
The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the machine learning research group GMUM.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Materials for the Learn PyTorch for Deep Learning: Zero to Mastery course.
PyTorch tutorials, examples and some books I found 【不定期更新】整理的PyTorch 最新版教程、例子和书籍
Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein