prescient-design / walk-jump
Official repository for discrete Walk-Jump Sampling (dWJS)
☆52Updated 10 months ago
Alternatives and similar repositories for walk-jump:
Users that are interested in walk-jump are comparing it to the libraries listed below
- This repository implements Gibbs sampling with Graph-based Smoothing☆38Updated 10 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆96Updated 8 months ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆73Updated last year
- ☆65Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- Protein Design with Guided Discrete Diffusion☆127Updated last year
- Official repository for discrete Walk-Jump Sampling (dWJS)☆52Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 3 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆41Updated 5 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 10 months ago
- Pose checks for 3D Structure-based Drug Design methods☆80Updated 5 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆75Updated last year
- ☆87Updated 6 months ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆71Updated 6 months ago
- [ICLR2025] Official Implementation of IgGM: A Generative Model for Functional Antibody and Nanobody Design☆64Updated this week
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆58Updated 8 months ago
- ☆27Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆61Updated last week
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆74Updated 10 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆31Updated 4 months ago
- In-silico design pipeline for evaluating protein structure diffusion models.☆23Updated 10 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 9 months ago
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆54Updated last year
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆92Updated 2 years ago
- A standardized protein design benchmark for motif-scaffolding problems☆56Updated last week
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆85Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆55Updated this week
- ☆106Updated 2 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆57Updated 11 months ago