IDEA AI4Science (original) (raw)

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1. InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
   Python 47 7
2. PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes [EMNLP 2024]
   Python 25 3
3. The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."
   Python 10

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Showing 9 of 9 repositories

• LigUnity Public
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening and hit-to-lead optimization
  IDEA-XL/LigUnity’s past year of commit activity
  Python
  17
  MIT
  1 2 0
  Updated Mar 6, 2025
• G4D Public
  [NAACL 2025] The official code for Guide for Defense (G4D): we introduce G4D, a dynamic, guide-basedframework that operates independently of static safety prompts.
  IDEA-XL/G4D’s past year of commit activity
  Python
  5
  0
  0 0
  Updated Jan 25, 2025
• InstructMol Public
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
  IDEA-XL/InstructMol’s past year of commit activity
  Python
  47
  Apache-2.0
  7 4 0
  Updated Dec 2, 2024
• MoleculeQA Public
  The largest existing Question Answering Dataset for molecular research. [EMNLP 2024]
  IDEA-XL/MoleculeQA’s past year of commit activity
  4
  0
  0 0
  Updated Nov 26, 2024
• PRESTO Public
  PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes [EMNLP 2024]
  IDEA-XL/PRESTO’s past year of commit activity
  Python
  25
  Apache-2.0
  3 0 0
  Updated Nov 18, 2024
• SubgDiff Public
  The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."
  IDEA-XL/SubgDiff’s past year of commit activity
  Python
  10
  MIT 0
  0 0
  Updated Nov 12, 2024
• ChemSafety Public
  SMILES-Prompting: A Novel Approach to LLM Jailbreak Attacks in Chemical Synthesis
  IDEA-XL/ChemSafety’s past year of commit activity
  Python
  1
  0
  0 0
  Updated Jul 11, 2024
• IDEA-XL/AbLingua’s past year of commit activity
  Python 0 Apache-2.0 0
  0 0
  Updated Jul 10, 2024
• IDEA-XL/.github’s past year of commit activity
  0 0
  0 0
  Updated Jul 3, 2024

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