Stars
[ICML 2025] 🧬 ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation
Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)
Official implementation of the paper: "DeFoG: Discrete Flow Matching for Graph Generation"
ConceptAttention: A method for interpreting multi-modal diffusion transformers.
MCGLPPI and MCGLPPI++: Integration of molecular coarse-grained model into geometric representation learning framework for protein-protein complex property prediction
MMaDA - Open-Sourced Multimodal Large Diffusion Language Models
Saprot: Protein Language Model with Structural Alphabet (AA+3Di)
Code for the ProteinMPNN paper
Large Language Models in Protein: A Comprehensive Survey
Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
Compilation of literature examples of generative drug design that demonstrate experimental validation
Dataset and package for working with protein-protein interactions in 3D
MAGI-1: Autoregressive Video Generation at Scale
Paper list for equivariant neural network
A collection of papers studying/improving the expressiveness of graph neural networks (GNNs)
A list of Graph Causal Learning materials.
A lightweight, powerful framework for multi-agent workflows
11 Lessons to Get Started Building AI Agents
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)
Joint sequence and structure generation with RoseTTAFold sequence space diffusion
This package contains deep learning models and related scripts for RoseTTAFold
Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
The backend of antifungipept, an online platform for antifungal peptide (AFP) identification, activity prediction, and rational design.