leojklarner / context-guided-diffusionLinks
Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
☆39Updated last year
Alternatives and similar repositories for context-guided-diffusion
Users that are interested in context-guided-diffusion are comparing it to the libraries listed below
Sorting:
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- ☆46Updated 2 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆77Updated 3 months ago
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆47Updated 5 months ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆101Updated last year
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆64Updated 4 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Updated 2 years ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆50Updated 3 months ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆39Updated last year
- In-silico design pipeline for evaluating protein structure diffusion models.☆27Updated last year
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆109Updated 2 years ago
- pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction☆22Updated last year
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆50Updated last month
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆29Updated last year
- generative model for drug discovery☆65Updated 2 months ago
- Generative modeling of molecular dynamics trajectories☆171Updated 6 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆53Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆46Updated 10 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆89Updated last year
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆74Updated 2 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆59Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆162Updated last month
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆78Updated last year
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆177Updated 2 years ago
- Molecular Out-Of-Distribution☆38Updated 5 months ago
- Official implementation of "Learning the language of protein structures"☆39Updated 3 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆96Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 8 months ago