AI4S
Biological foundation modeling from molecular to genome scale
Genome modeling and design across all domains of life
Robust Molecular Structure Recognition with Image-to-Graph Generation
Official Repository for the Uni-Mol Series Methods
A single model for all your molecular design tasks
Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)
A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)
Biomni: a general-purpose biomedical AI agent
This is an official repository of Vib2Mol
ProTrek: illuminating the Protein Universe through Trimodal Protein Language Model (Connecting text and protein)
Implementation of paper "Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens"
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
Associated Repository for "Translation between Molecules and Natural Language"
The Mass Spec Query Language (MassQL) is a domain specific language meant to be a succinct way to express a query in a mass spectrometry centric fashion.
Official repository for the ProteinGym benchmarks
[NeurIPS 2024] BEACON: Benchmark for Comprehensive RNA Tasks and Language Models
The Family of Diffusion Protein Language Models (DPLM)
A Protein Large Language Model for Multi-Task Protein Language Processing
[Cell Reports Physical Science] Open-sourced dialogue foundation model for Chemistry and molecule science
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
[ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"
Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RASSP)
InternAgent-1.5: A Unified Agentic Framework for Long-Horizon Autonomous Scientific Discovery
Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >