This project aims to summarize the awesome research progress of AI+bioinformatics (e.g. molecules, proteins, mass spectrum, genes) from the perspective of computer science majors. Computer scientists tend to focus on data, tasks, and algorithms. Therefore, we use the logic of data->task->algorithm to summarize.

This repository is an ongoing project, and we welcome more collaborators to join us! If you want to become a partner, please contact us. If you want to contribute something, please feel free to contribute.

News!

[2022/12/01] Added new chapter "proteins".

[2022/09/22] Added new chapter "molecular conformation generation".

[2022/09/19] Added new chapter "conferences", and more latest conference papers (including NeurIPS, ICLR, AAAI, KDD, CVPR, ICML, IJCAI, etc.) in the field of AI+bioinformatics will be included.

[2022/08/28] Project begining.

Table of Contents

• tutorials
• single-modal learning
  • molecules
    • molecular property prediction
    • molecular conformation generation
    • molecular generation and optimization
    • molecular synthesis and retrosynthesis
    • drug-drug-interaction (DDI)
    • molecular docking
  • proteins
    • tasks and datasets
    • methods
• multi-modal learning
• conferences
  • NeurIPS 2022
  • ICLR 2023

single-modal learning

molecules

molecular property prediction

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molecular conformation generation

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molecular generation and optimization

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proteins

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multi-modal learning

conferences

NeurIPS 2022

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Tutorials

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