[NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
☆29Feb 16, 2026Updated 5 months ago
Alternatives and similar repositories for E2Former
Users that are interested in E2Former are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- UBio-MolFM is a foundation model suite for molecular modeling, developed by the UBio-MolFM team.☆33Apr 13, 2026Updated 3 months ago
- 🌟 [NeurIPS '25 Spotlight] Official implement of QHFlow for DFT Hamiltonian prediction☆31Dec 6, 2025Updated 7 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated last year
- ☆18Oct 29, 2025Updated 9 months ago
- Official implement of SPHNet and WANet☆20Dec 16, 2025Updated 7 months ago
- 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.
- Learning Hamiltonian Flow Maps via Mean Flow Consistency for Large-Timestep Molecular Dynamics☆39Jul 4, 2026Updated 3 weeks ago
- graph2mat: Graph to matrix conversion☆24Jul 9, 2026Updated 2 weeks ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- LES extension package for NequIP☆18May 26, 2026Updated 2 months ago
- ☆48Jul 1, 2026Updated 3 weeks ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆74Mar 5, 2026Updated 4 months ago
- Implementation for Flexible MOF Generation with Torsion-Aware Flow Matching☆18Feb 13, 2026Updated 5 months ago
- Megalodon☆24Jul 22, 2025Updated last year
- ☆23Jul 3, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ML potentials via transfer learning☆30Updated this week
- ☆18May 22, 2025Updated last year
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆30Feb 14, 2025Updated last year
- [Nature Communications] The implementation for the paper "An equivariant pretrained transformer for unified 3D molecular representation l…☆15Jun 25, 2026Updated last month
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 5 months ago
- AIMNet2: Fast and accurate machine-learned interatomic potential for molecular dynamics simulations☆101Updated this week
- Data efficient active learning for machine learning potentials☆18Jul 7, 2026Updated 3 weeks ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- Benchmark for generative models for materials☆52Apr 27, 2026Updated 3 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers☆114Apr 17, 2026Updated 3 months ago
- Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"☆85Jun 6, 2026Updated last month
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 2026Updated 3 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
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆40Oct 20, 2025Updated 9 months ago
- ☆25Jan 5, 2026Updated 6 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- Lightweight diffusion transformer for crystalline materials discovery☆25Updated this week
- AI Agents on 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.
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- The official implementation of the AAAI'24 paper Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer.☆12Dec 28, 2023Updated 2 years ago
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated last year
- Official Implementation of "Meta Flow Maps enable scalable reward alignment"☆43May 14, 2026Updated 2 months ago
- STRUCTURES25 - Machine-learning OF-DFT implementation using equivariant graph neural networks (JACS 2025).☆25Feb 2, 2026Updated 5 months ago
- ☆16Dec 14, 2023Updated 2 years ago
- LoQI: Low Energy QM Informed Conformer Generation☆56Updated this week