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@IDEA-XL

IDEA AI4Science

The International Digital Economy Academy (“IDEA”) x-disciplinary research

Hi there 👋

IDEA-XL (AI for Science)

Welcome to the official GitHub organization for IDEA-XL, the AI for Science team at the International Digital Economy Academy (IDEA). We are a cross-disciplinary research group dedicated to advancing scientific discovery through cutting-edge AI.

Our research is focused on the intersection of artificial intelligence and the natural sciences, with a particular emphasis on chemistry, biology, and drug discovery. We develop novel models and datasets to tackle complex scientific challenges.

Our Mission

We believe that AI has the potential to revolutionize scientific research. Our mission is to build powerful tools that accelerate discovery and innovation in the sciences.

Get in Touch

To learn more about our work, visit our website at idea.edu.cn. For collaboration inquiries, please reach out through our official channels.

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  1. InstructMol InstructMol Public

    InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)

    Python 53 8

  2. PRESTO PRESTO Public

    PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes [EMNLP 2024]

    Python 28 4

  3. LigUnity LigUnity Public

    Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.

    Python 48 9

  4. RAPM RAPM Public

    Code for paper "Rethinking Text-based Protein Understanding: Retrieval or LLM?"

    Python 18 3

Repositories

Showing 10 of 20 repositories
  • IDEA-XL/DirectMultiStep’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Nov 13, 2025
  • LigUnity Public

    Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.

    IDEA-XL/LigUnity’s past year of commit activity
    Python 48 Apache-2.0 9 4 0 Updated Nov 12, 2025
  • qikpropservice Public

    qikprop service

    IDEA-XL/qikpropservice’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Oct 30, 2025
  • REINVENT4 Public

    fork from reinvent4

    IDEA-XL/REINVENT4’s past year of commit activity
    Python 1 Apache-2.0 0 0 0 Updated Oct 29, 2025
  • ChemCoTBench Public

    LLM Reasoning Benchmark & Chain-of-Thoughts Dataset for Chemistry

    IDEA-XL/ChemCoTBench’s past year of commit activity
    Python 45 2 1 0 Updated Oct 9, 2025
  • RAPM Public

    Code for paper "Rethinking Text-based Protein Understanding: Retrieval or LLM?"

    IDEA-XL/RAPM’s past year of commit activity
    Python 18 MIT 3 0 0 Updated Oct 7, 2025
  • TokenMD Public Forked from zj-liu/TokenMD
    IDEA-XL/TokenMD’s past year of commit activity
    Python 2 1 0 0 Updated Aug 27, 2025
  • .github Public
    IDEA-XL/.github’s past year of commit activity
    0 0 0 0 Updated Aug 22, 2025
  • MolEdit Public

    A Python toolkit for editing molecular structures by manipulating functional groups using RDKit.

    IDEA-XL/MolEdit’s past year of commit activity
    Python 0 0 0 0 Updated Aug 21, 2025
  • daily_ai4s_paper Public

    daily update ai4s paper. buid on langgraph

    IDEA-XL/daily_ai4s_paper’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 10, 2025

People

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