[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
☆65Jun 27, 2024Updated last year
Alternatives and similar repositories for GMN
Users that are interested in GMN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆33Oct 5, 2023Updated 2 years ago
- [NeurIPS 2022] The implementation for the paper "Learning Physical Dynamics with Subequivariant Graph Neural Networks".☆39Nov 1, 2022Updated 3 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- ☆536Feb 23, 2022Updated 4 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆323Nov 15, 2025Updated 5 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆19Oct 31, 2025Updated 6 months ago
- [NeurIPS 2024] Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling☆26Jul 10, 2025Updated 9 months ago
- E(3) Steerable Graph Neural Network☆128Feb 10, 2023Updated 3 years ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆37Jul 22, 2025Updated 9 months ago
- ☆109Apr 1, 2023Updated 3 years ago
- ☆17Jun 3, 2024Updated last year
- [ICCV 2025] CHORDS: Diffusion Sampling Accelerator with Multi-core Hierarchical ODE Solvers☆16Mar 3, 2026Updated 2 months ago
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆525Dec 6, 2024Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Jun 14, 2023Updated 2 years 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.
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆19Dec 24, 2024Updated last year
- Open source code for TankBind. Galixir Tenchnologies☆183Nov 1, 2023Updated 2 years ago
- ☆12Jun 13, 2025Updated 10 months ago
- ☆16Sep 4, 2025Updated 8 months ago
- ☆18Mar 2, 2026Updated 2 months ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆219Mar 31, 2023Updated 3 years ago
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆577Apr 3, 2026Updated last month
- MetaLadder: Ascending Mathematical Solution Quality via Analogical-Problem Reasoning Transfer (EMNLP 2025)☆12Apr 18, 2025Updated last year
- 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.
- ☆130Sep 5, 2022Updated 3 years ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Oct 31, 2023Updated 2 years ago
- Pytorch implementation of "Very Deep Graph Neural Networks via Noise Regularisation"☆10Aug 22, 2021Updated 4 years ago
- An awesome & curated list of docking papers☆138Jan 2, 2026Updated 4 months ago
- Research repo for AI aided drug discovery, de novo drug development and related topics☆38Jan 4, 2022Updated 4 years ago
- OOD Dataset Curator and Benchmark for AI-aided Drug Discovery☆173Oct 23, 2022Updated 3 years ago
- [ICML 2023 Oral] Official environments and implementations for "Subequivariant Graph Reinforcement Learning in 3D Environments"☆19Jul 24, 2023Updated 2 years ago
- ☆28Oct 15, 2024Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆16Jan 10, 2023Updated 3 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆203Feb 12, 2023Updated 3 years ago
- ☆29Oct 7, 2024Updated last year
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆105Apr 7, 2023Updated 3 years ago
- A simple Andriod App for news browsing.☆14Sep 9, 2019Updated 6 years ago
- Solution of KDD cup 2021☆11Jun 16, 2021Updated 4 years ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Jul 17, 2023Updated 2 years ago