☆139Jun 17, 2025Updated 9 months ago
Alternatives and similar repositories for GGNN4Science
Users that are interested in GGNN4Science are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆30Jun 25, 2025Updated 9 months ago
- Open-source code for GEAR☆13Dec 3, 2025Updated 4 months ago
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆330Jan 10, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Geometric Latent Diffusion Models for 3D Molecule Generation☆275Jun 9, 2023Updated 2 years ago
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Dec 5, 2023Updated 2 years ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆37Jul 22, 2025Updated 8 months ago
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆92May 17, 2025Updated 10 months ago
- Official repository for MolCRAFT series☆149Oct 27, 2025Updated 5 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Collection of papers for Molecular Representation using AI☆37Feb 21, 2026Updated last month
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆75Feb 24, 2025Updated last year
- Official open-source of Antibody Design Using a Score-based Diffusion Model Guided by Evolutionary, Physical, and Geometric Constraints☆50Jun 30, 2025Updated 9 months ago
- 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.
- Controllable Multi-Objective Re-ranking with Policy Hypernetworks (KDD 2023)☆38Oct 6, 2024Updated last year
- ☆16Sep 15, 2025Updated 6 months ago
- Saprot: Protein Language Model with Structural Alphabet (AA+3Di)☆581Mar 8, 2026Updated last month
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆357Jun 29, 2023Updated 2 years ago
- ☆12Dec 15, 2023Updated 2 years ago
- ☆46Mar 11, 2024Updated 2 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆116Mar 9, 2026Updated last month
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆42Apr 2, 2025Updated last year
- AI-powered ab initio biomolecular dynamics simulation☆571Feb 18, 2025Updated 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.
- Code for humanization of antibody and nanobody☆78Aug 28, 2025Updated 7 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆240Sep 29, 2025Updated 6 months ago
- PoseX: A Molecular Docking Benchmark☆72Mar 23, 2026Updated 2 weeks ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆103May 25, 2025Updated 10 months ago
- ☆41May 22, 2024Updated last year
- ☆221Mar 2, 2024Updated 2 years ago
- Official implementation of "Learning the language of protein structures"☆41Mar 18, 2026Updated 3 weeks ago
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆129Feb 26, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Fast Molecular Property Prediction with mordredcommunity☆59Dec 12, 2025Updated 3 months ago
- Awesome Protein Representation Learning☆685Nov 16, 2024Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆165Apr 14, 2025Updated 11 months ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆42May 30, 2024Updated last year
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆52Mar 30, 2026Updated last week
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆23Aug 30, 2023Updated 2 years ago
- ☆529Feb 23, 2022Updated 4 years ago