EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers
☆59Apr 13, 2026Updated this week
Alternatives and similar repositories for equiformer_v3
Users that are interested in equiformer_v3 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆36Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated last month
- ☆22May 7, 2025Updated 11 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆95Updated this week
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated 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.
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆65Updated this week
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆42Feb 11, 2025Updated last year
- Library for Crystal Symmetry in Rust☆70Updated this week
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆28Updated this week
- ☆16Jul 21, 2025Updated 8 months ago
- Implementation of various equivariant models in JAX☆19Apr 12, 2024Updated 2 years ago
- Statistical Mechanics on Lattices☆94Updated this week
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- 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.
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆43Mar 1, 2025Updated last year
- Compute neighbor lists for atomistic systems☆74Updated this week
- Molecular Crystal Representation from Transformer☆16Dec 19, 2024Updated last year
- Stochastic trace estimation using JAX☆17Aug 20, 2025Updated 7 months ago
- ☆22Dec 19, 2025Updated 3 months ago
- ☆18Apr 19, 2024Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- Monitor GPU/CPU Usage on SSH servers, with NVIDIA and AMD support.☆150Oct 15, 2025Updated 6 months ago
- ☆11Sep 16, 2024Updated 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.
- ☆15Jan 23, 2025Updated last year
- The latest documentation for the Materials Project.☆13Apr 3, 2026Updated last week
- python package for Sparse Affinity Propagation (SAP) Clustering method☆16Jun 14, 2020Updated 5 years ago
- ☆12Mar 27, 2026Updated 2 weeks ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆10Sep 18, 2021Updated 4 years ago
- The Polaris datasets and benchmarks recipes☆13May 26, 2025Updated 10 months ago
- Exploring how ChatGPT can be used to accelerate research in cosmology.☆13Dec 12, 2022Updated 3 years ago
- About Code release for "FlashBias: Fast Computation of Attention with Bias" (NeurIPS 2025), https://arxiv.org/abs/2505.12044☆27Nov 17, 2025Updated 4 months ago
- Hierarchical neural implicit inference over event ensembles. Code repository associated with https://arxiv.org/abs/2306.12584.☆13Jun 24, 2023Updated 2 years 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.
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆116Mar 9, 2026Updated last month
- BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding https://www.biorxiv.org/content/10.1101/2024.10.28.6…☆21Nov 24, 2025Updated 4 months ago
- A numerical integration routine that works for the natural logarithm of functions☆12Sep 4, 2024Updated last year
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- Paper introducing jax-cosmo☆13Apr 27, 2023Updated 2 years ago
- A Jax wrapper for cudaKDTree☆11Sep 26, 2025Updated 6 months ago
- A Fast, Simplified Model for Molecular Generation with Improved Physical Quality☆28Oct 1, 2025Updated 6 months ago