☆139Jun 17, 2025Updated 8 months ago
Alternatives and similar repositories for GGNN4Science
Users that are interested in GGNN4Science are comparing it to the libraries listed below
Sorting:
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆31Nov 8, 2024Updated last year
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆29Jun 25, 2025Updated 8 months ago
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- Open-source code for GEAR☆13Dec 3, 2025Updated 2 months ago
- Collection of papers for Molecular Representation using AI☆33Feb 21, 2026Updated last week
- Official repository for MolCRAFT series☆143Oct 27, 2025Updated 4 months ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆323Jan 10, 2024Updated 2 years ago
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆89May 17, 2025Updated 9 months ago
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆74Feb 24, 2025Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 5 months ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆35Jul 22, 2025Updated 7 months ago
- ☆11Dec 15, 2023Updated 2 years ago
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Dec 5, 2023Updated 2 years ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆104May 25, 2025Updated 9 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Apr 2, 2025Updated 10 months ago
- AI-powered ab initio biomolecular dynamics simulation☆567Feb 18, 2025Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆271Jun 9, 2023Updated 2 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆114Oct 24, 2025Updated 4 months ago
- ☆40May 22, 2024Updated last year
- Official open-source of Antibody Design Using a Score-based Diffusion Model Guided by Evolutionary, Physical, and Geometric Constraints☆47Jun 30, 2025Updated 8 months ago
- ☆16Sep 15, 2025Updated 5 months ago
- Saprot: Protein Language Model with Structural Alphabet (AA+3Di)☆566Nov 19, 2025Updated 3 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆353Jun 29, 2023Updated 2 years ago
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆30Jan 23, 2025Updated last year
- ☆36Dec 7, 2025Updated 2 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆72Apr 26, 2024Updated last year
- Baseline model for PPB-Affinity benchmark data☆35May 21, 2025Updated 9 months ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆22Aug 30, 2023Updated 2 years ago
- Fast Molecular Property Prediction with mordredcommunity☆57Dec 12, 2025Updated 2 months ago
- ☆215Mar 2, 2024Updated last year
- A convinent tool to visualize AlphaFold 3 prediction results with PyMOL and matplotlib☆19May 20, 2024Updated last year
- ☆15May 29, 2024Updated last year
- Fast protein backbone generation with SE(3) flow matching.☆314Jul 19, 2024Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆267Apr 27, 2025Updated 10 months ago
- Controllable Multi-Objective Re-ranking with Policy Hypernetworks (KDD 2023)☆38Oct 6, 2024Updated last year
- ☆21Oct 22, 2024Updated last year
- An object-aware diffusion model for generating chemical reactions☆143May 29, 2024Updated last year