DeepGraphLearning / DiffPackLinks
Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
☆87Updated last year
Alternatives and similar repositories for DiffPack
Users that are interested in DiffPack are comparing it to the libraries listed below
Sorting:
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆95Updated 2 years ago
- ☆106Updated 2 years ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆81Updated last week
- ☆89Updated 7 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 4 months ago
- ☆79Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆109Updated 3 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆94Updated 10 months ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated last year
- Structure-conditioned masked language modeling for protein sequence design☆62Updated last year
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆74Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆66Updated 6 months ago
- [ICLR2025] Official Implementation of IgGM: A Generative Model for Functional Antibody and Nanobody Design☆74Updated 3 weeks ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆48Updated 2 weeks ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 8 months ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆49Updated last year
- ☆39Updated last year
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆122Updated 6 months ago
- ☆108Updated 2 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆130Updated 3 months ago
- Official repository of EnzymeFlow☆92Updated 5 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆86Updated last year
- ☆64Updated 2 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆58Updated 11 months ago
- Code and Pre-Trained Models for "AttnPacker: An end-to-end deep learning method for protein side-chain packing"☆84Updated last year
- ☆41Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆77Updated last year
- Multi-domain Distribution Learning for De Novo Drug Design☆87Updated 2 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆75Updated 11 months ago