Popular GitHub Repositories for Drug Disease Associations

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

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

Message Passing Neural Networks for Molecule Property Prediction

A powerful and flexible machine learning platform for drug discovery

BoT-SORT: Robust Associations Multi-Pedestrian Tracking

List of Molecular and Material design using Generative AI and Deep Learning

Python package for graph neural networks in chemistry and biology

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

QiZhenGPT: An Open Source Chinese Medical Large Language Model｜一个开源的中文医疗大语言模型

Using an LLM to discover the genetic causes of rare disease

A knowledge graph and a set of tools for drug repurposing

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

⚕️GenAI powered multi-agentic medical diagnostics and healthcare research assistance chatbot. ? Designed for healthcare professionals, researchers and patients.

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

A Euclidean diffusion model for structure-based drug design.

Deep Reinforcement Learning for de-novo Drug Design

It is a medical chatbot that will provide quick answers to FAQs by setting up rule-based keyword chatbots.

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.