Lists (3)
Starred repositories
Public repository for ShapeMapper 2 releases
code for adjoint-based diffusion samplers
Generative model for protein binder design for protein and small molecule targets. Combines a pretrained flow-based generative model (built on La-Proteina) with inference-time optimization.
Code and website for Self-Flow: Self-Supervised Flow Matching for Scalable Multi-Modal Synthesis
Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
Implementation for Discrete Feynman-Kac Correctors
Build compute kernels and load them from the Hub.
An implementation of 'simple diffusion: End-to-end diffusion for high resolution images' as published by Hoogeboom et al.
RNAdvisor is a docker-based wrapper that integrates other metrics and scoring functions for RNA 3D structure evaluation.
AlphaFast: ultra-high-throughput AlphaFold3 inference with MMSeqs2-GPU
Fast and accurate coarse-grained neural network molecular dynamics
A minimal PyTorch re-implementation of AlphaFold2's model & training
Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling
[ICLR 2026] Oversmoothing, “Oversquashing”, Heterophily, Long-Range, and more: Demystifying Common Beliefs in Graph Machine Learning
[ICLR'25 Oral] Representation Alignment for Generation: Training Diffusion Transformers Is Easier Than You Think
An easy (and fast) API for popular 3D molecular datasets!
Official repository of Zatom-1, a multimodal flow foundation model for 3D molecules and materials
High-performance operations for neural network potentials
NVIDIA FastGen: Fast Generation from Diffusion Models
Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
Benchmark for generative models for materials
Energy-guided binder design pipeline built on BindCraft
Origin-1: a generative AI platform for de novo antibody design against novel epitopes
Universal interatomic potentials for advanced materials modeling
RNAPro is a state-of-the-art RNA 3D folding model developed in collaboration with the hosts and winners of the Stanford RNA 3D Folding Kaggle competition.
Space group equivariant crystal diffusion [NeurIPS 2025]