Repositories list

• ESM-Mamba

  Public
  ESM replaced with mamba architecture

  Python

  •0•0•0•0•Updated Jan 27, 2025Jan 27, 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.

  Python

  •0•4•0•0•Updated Jan 25, 2025Jan 25, 2025

• LigUnity

  Public
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening and hit-to-lead optimization

  Python

  •0•0•0•0•Updated Jan 9, 2025Jan 9, 2025

• InstructMol

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

  Python

  •

  Apache License 2.0

  •6•43•2•0•Updated Dec 2, 2024Dec 2, 2024

• MoleculeQA

  Public
  The largest existing Question Answering Dataset for molecular research. [EMNLP 2024]

  0•4•0•0•Updated Nov 26, 2024Nov 26, 2024

• PRESTO

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

  Python

  •

  Apache License 2.0

  •3•22•0•0•Updated Nov 18, 2024Nov 18, 2024

• SubgDiff

  Public
  The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."

  Python

  •

  MIT License

  •0•9•0•0•Updated Nov 12, 2024Nov 12, 2024

• ChemSafety

  Public
  SMILES-Prompting: A Novel Approach to LLM Jailbreak Attacks in Chemical Synthesis

  Python

  •0•1•0•0•Updated Jul 11, 2024Jul 11, 2024

• AbLingua

  Public
  Python

  •

  Apache License 2.0

  •0•0•0•0•Updated Jul 10, 2024Jul 10, 2024

• .github

  Public
  0•0•0•0•Updated Jul 3, 2024Jul 3, 2024