☆142Jun 17, 2025Updated last year
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:
- Open-source code for GEAR☆16Dec 3, 2025Updated 10 months ago
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 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
- [ICML 2024] Official implementation of FastEGNN: Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes …☆32Jun 25, 2025Updated last year
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆41Jul 22, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [Nature Communications] Official code for "Siamese Foundation Models for Crystal Structure Prediction".☆18May 13, 2026Updated 5 months ago
- Diffusion Probabilistic CDVAE☆25Dec 7, 2023Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated 2 years ago
- [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation l…☆18Jun 25, 2026Updated 4 months ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆350Jan 10, 2024Updated 2 years ago
- Reinforcing Long-Term Performance in Recommender Systems with User-Oriented Exploration Policy (SIGIR 2024)☆14Oct 6, 2024Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆46Apr 2, 2025Updated last year
- The implementation for the paper "Scalable Peptide Design via Memory-Efficient Equivariant Transformer"☆11Aug 20, 2026Updated 2 months ago
- Controllable Multi-Objective Re-ranking with Policy Hypernetworks (KDD 2023)☆42Oct 6, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆123Mar 9, 2026Updated 7 months ago
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆95May 17, 2025Updated last year
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆87May 27, 2026Updated 5 months ago
- Official repository for MolCRAFT series☆160Oct 27, 2025Updated last year
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆63Mar 30, 2026Updated 7 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆75Mar 5, 2026Updated 7 months ago
- An object-aware diffusion model for generating chemical reactions☆147May 29, 2024Updated 2 years ago
- ☆550Feb 23, 2022Updated 4 years ago
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆22Sep 28, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆135Feb 26, 2025Updated last year
- Codebase for the paper "Systematic comparison of Generative AI-Protein Models" by Alexander J Barnett, Rajendra KC, Pratikshya Pandey, P…☆10Nov 5, 2024Updated last year
- Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"☆110Jun 6, 2026Updated 4 months ago
- [NIPS2023]Implementation of Foundation Model is Efficient Multimodal Multitask Model Selector☆37Mar 7, 2024Updated 2 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆45May 30, 2024Updated 2 years ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆277Jun 9, 2023Updated 3 years ago
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆17Dec 5, 2023Updated 2 years ago
- [ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State…☆31Mar 18, 2026Updated 7 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆370Jun 29, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Official implementation of "Learning the language of protein structures"☆42Mar 18, 2026Updated 7 months ago
- ☆47Mar 11, 2024Updated 2 years ago
- AI-powered ab initio biomolecular dynamics simulation☆582Feb 18, 2025Updated last year
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆330Jun 13, 2025Updated last year
- ☆13Dec 15, 2023Updated 2 years ago
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆33Oct 5, 2023Updated 3 years ago
- Awesome Protein Representation Learning☆683Nov 16, 2024Updated last year