☆47Oct 17, 2025Updated last year
Alternatives and similar repositories for vnegnn
Users that are interested in vnegnn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆31Oct 15, 2024Updated 2 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆18Nov 19, 2024Updated last year
- Identifying Protein-DNA binding sites based on multi-view graph embedding fusion☆12Sep 20, 2024Updated 2 years ago
- [ICML 2024] Official implementation of FastEGNN: Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes …☆32Jun 25, 2025Updated last year
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆31Nov 8, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- E(3) equivariant graph neural network for PPI site prediction☆11Sep 18, 2023Updated 3 years ago
- Protein-protein interacting site predictor using deep graph convolutional network☆11Jan 3, 2023Updated 3 years ago
- ☆10Jan 9, 2025Updated last year
- SGPPI: structure-aware prediction of protein-protein interactions in rigorous conditions with graph convolutional network☆15Nov 17, 2022Updated 3 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆37Nov 18, 2023Updated 2 years ago
- Python application for finding apo and holo structures for user-defined protein-ligand interactions☆10Feb 7, 2023Updated 3 years ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆52Sep 23, 2024Updated 2 years ago
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆17Jun 30, 2026Updated 3 months ago
- E(n) Equivariant GNN in jax☆14Aug 31, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Code for the paper LaM-SLidE - Latent Space Modeling of Spatial Dynamical Systems via Linked Entities☆26May 23, 2025Updated last year
- PREVENT: PRotein Engineering by Variational frEe eNergy approximaTion☆13Jul 4, 2024Updated 2 years ago
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 3 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆41Sep 8, 2026Updated last month
- ☆12Dec 2, 2024Updated last year
- [NeurIPS '23] Official code of "A Hierarchical Spatial Transformer for Massive Point Samples in Continuous Space"☆14Jul 13, 2025Updated last year
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆59Jul 22, 2025Updated last year
- Environment for developing substructure-aware protein models☆16Mar 26, 2026Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Python wrapper around Bacting (https://github.com/BlueObelisk/bacting)☆12Apr 24, 2026Updated 6 months ago
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆34Nov 8, 2024Updated last year
- MpbPPI: A multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein …☆19Oct 6, 2024Updated 2 years ago
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆44Mar 1, 2025Updated last year
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated last year
- ☆22Mar 30, 2024Updated 2 years ago
- DNE for biological network representation learning - Science Advances☆14Dec 27, 2024Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆259Sep 29, 2025Updated last year
- ☆100Oct 23, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆20Jan 18, 2025Updated last year
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated 2 years ago
- AI-native molecular docking framework unified with site binding, conformation sampling and scoring☆21Oct 14, 2026Updated 2 weeks ago
- Web application for protein-ligand binding sites analysis and visualization☆20Aug 22, 2026Updated 2 months ago
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆33Oct 5, 2023Updated 3 years ago
- Code for paper "Mapping the combinatorial coding between olfactory receptors and perception with deep learning"☆19Oct 6, 2026Updated 3 weeks ago
- ☆550Feb 23, 2022Updated 4 years ago