☆28Oct 15, 2024Updated last year
Alternatives and similar repositories for EquiPocket
Users that are interested in EquiPocket are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆46Oct 17, 2025Updated 5 months ago
- Protein function prediction using protein structures and deep graph neural networks.☆20Jan 24, 2025Updated last year
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆30Jun 25, 2025Updated 9 months ago
- Prediction of ligand binding site☆15Feb 3, 2026Updated last month
- Identifying Protein-DNA binding sites based on multi-view graph embedding fusion☆12Sep 20, 2024Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆41Jul 7, 2024Updated last year
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆21Oct 31, 2025Updated 4 months ago
- ☆15Jun 4, 2024Updated last year
- ☆25Jan 30, 2025Updated last year
- Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs☆34Feb 9, 2026Updated last month
- ☆15Mar 27, 2024Updated 2 years ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆71Nov 22, 2025Updated 4 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆19Jun 3, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Deep Learning Framework for Allosteric Site Prediction☆15May 21, 2025Updated 10 months ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆214Apr 15, 2025Updated 11 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Jul 16, 2024Updated last year
- ☆74Feb 13, 2026Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆235Sep 29, 2025Updated 6 months ago
- ☆42Nov 29, 2025Updated 4 months ago
- ☆49Nov 19, 2025Updated 4 months ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆12Feb 13, 2024Updated 2 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Software for the prediction of FRET data from conformational ensembles.☆24Dec 19, 2024Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆215Mar 21, 2026Updated last week
- ☆30Sep 8, 2024Updated last year
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆90Dec 4, 2023Updated 2 years ago
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆17Aug 8, 2023Updated 2 years ago
- ☆13Dec 5, 2024Updated last year
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- Protein Structure Archiver☆14Sep 10, 2025Updated 6 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Oct 31, 2023Updated 2 years ago
- ☆15Jun 3, 2025Updated 9 months ago
- Triplet Graph Transformer☆50Sep 17, 2025Updated 6 months ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆41Jul 17, 2025Updated 8 months ago
- AlphaFind: Discover structure similarity across the entire known proteome☆25Nov 5, 2025Updated 4 months ago
- [Bioinformatics 2025] Official implementation of the paper "ParaSurf: A Surface-Based Deep Learning Approach for Paratope-Antigen Interac…☆29Jan 28, 2026Updated 2 months ago
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆73Mar 7, 2026Updated 3 weeks ago