Bhattacharya-Lab / EquiPNASLinks
pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction
☆22Updated last year
Alternatives and similar repositories for EquiPNAS
Users that are interested in EquiPNAS 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
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆47Updated 3 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆46Updated last month
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆36Updated last year
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆72Updated 9 months ago
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
- ☆30Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Generative method to design novel proteins using a diffusion model☆43Updated 2 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- ☆40Updated last year
- This repository implements Gibbs sampling with Graph-based Smoothing☆39Updated last year
- ☆52Updated last year
- Tool for modelling the CDRs of antibodies☆32Updated 2 years ago
- Dataset and package for working with protein-protein interactions in 3D☆94Updated 3 months ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆77Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated 2 years ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆80Updated last year
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆73Updated last month
- ☆14Updated 2 weeks ago
- ☆64Updated last month
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆82Updated last month
- ☆19Updated 10 months ago
- ☆78Updated last year
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆28Updated 3 years ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated 2 weeks ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆49Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆114Updated 5 months ago