[NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
☆22Feb 16, 2026Updated 2 weeks ago
Alternatives and similar repositories for E2Former
Users that are interested in E2Former are comparing it to the libraries listed below
Sorting:
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆28Aug 20, 2024Updated last year
- ☆22Jul 3, 2025Updated 8 months ago
- ☆14Feb 13, 2026Updated 3 weeks ago
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget and [arXiv'26] Phonon fine-tuning (PFT)☆69Updated this week
- Python calculator for the Wigner D matrices, Clebsch-Gordan coefficients, hydrogen atoms, and irreducible representations of the Lorentz …☆11Mar 22, 2023Updated 2 years ago
- BERTOS: transformer for oxidation state prediction☆15Apr 18, 2025Updated 10 months ago
- ☆14Updated this week
- A code base for the third place solution of Ego-Exo4D bodypose challenge for CVPR2024 workshop☆12Jun 16, 2024Updated last year
- ☆11Aug 30, 2024Updated last year
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆12Jul 18, 2025Updated 7 months ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Aug 19, 2024Updated last year
- ☆11Jan 17, 2025Updated last year
- ☆13May 25, 2022Updated 3 years ago
- Learning to Skip the Middle Layers of Transformers☆17Aug 7, 2025Updated 7 months ago
- Fast Genetic Programming☆11Oct 10, 2019Updated 6 years ago
- ☆11Feb 20, 2026Updated 2 weeks ago
- Official code repository for the paper titled "Efficient Molecular Conformer Generation with SO(3) Averaged Flow-Matching and Reflow" (IC…☆13Jan 8, 2026Updated 2 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- ☆15Nov 29, 2023Updated 2 years ago
- A collection of notes and examples on model deployment☆22Jan 23, 2026Updated last month
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆326Feb 11, 2025Updated last year
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆17May 5, 2025Updated 10 months ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆12Feb 13, 2024Updated 2 years ago
- E(n) Equivariant GNN in jax☆14Aug 31, 2023Updated 2 years ago
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated 9 months ago
- ☆18May 14, 2024Updated last year
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆25Dec 30, 2025Updated 2 months ago
- Push-to-See: Learning Non-Prehensile Manipulation to Enhance Instance Segmentation via Deep Q-Learning☆13Sep 2, 2022Updated 3 years ago
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆26Oct 20, 2025Updated 4 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated 10 months ago
- ☆17Sep 16, 2025Updated 5 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆53Jun 13, 2023Updated 2 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆115Oct 30, 2024Updated last year
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆19May 15, 2025Updated 9 months ago
- This repository contains the training routines and the experiments presented in the paper "Graph Neural Networks for the prediction of in…☆13Jul 12, 2023Updated 2 years ago
- ☆11Dec 15, 2023Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆13Jun 22, 2023Updated 2 years ago
- All-atom inverse protein folding through discrete flow matching (ICML2025)☆23Feb 26, 2026Updated last week
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Dec 5, 2023Updated 2 years ago