leojklarner / context-guided-diffusion
Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
☆37Updated 9 months ago
Alternatives and similar repositories for context-guided-diffusion:
Users that are interested in context-guided-diffusion are comparing it to the libraries listed below
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆57Updated 11 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 10 months ago
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆55Updated this week
- ☆36Updated last month
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆46Updated last year
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆51Updated 2 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 3 months ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆73Updated last year
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆39Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆96Updated 8 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆92Updated 2 years ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆102Updated last month
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆40Updated 5 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆29Updated last year
- This repository implements Gibbs sampling with Graph-based Smoothing☆38Updated 10 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆50Updated 9 months ago
- A GFlowNet with a chemical synthesis action space.☆48Updated 2 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 7 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆75Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆61Updated last week
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆45Updated this week
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆28Updated this week
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆48Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- ☆27Updated last year
- A standardized protein design benchmark for motif-scaffolding problems☆56Updated last week
- Structure-conditioned masked language modeling for protein sequence design☆62Updated last year
- ☆65Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago