anton-bushuiev / PPIformer
Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
☆47Updated 2 months ago
Alternatives and similar repositories for PPIformer:
Users that are interested in PPIformer are comparing it to the libraries listed below
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- ☆83Updated 5 months ago
- Pose checks for 3D Structure-based Drug Design methods☆79Updated 4 months ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆37Updated 9 months ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆73Updated 9 months ago
- ☆79Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆67Updated 4 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆102Updated last week
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆57Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆42Updated 3 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆30Updated 3 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆52Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- Diffusion model based protein-ligand flexible docking method☆101Updated 4 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆27Updated 2 years ago
- ☆29Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆61Updated 2 weeks ago
- Dataset and package for working with protein-protein interactions in 3D☆91Updated last month
- A benchmark for 3D biomolecular structure prediction models☆55Updated 3 months ago
- ☆38Updated last year
- ☆34Updated 11 months ago
- ☆35Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆40Updated 4 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆83Updated last year
- ☆32Updated 2 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆32Updated last year
- Official repository of EnzymeFlow☆82Updated 3 months ago