Reciprocal Space Attention (RSA) for Learning Long-Range Interactions
☆17Nov 7, 2025Updated 11 months ago
Alternatives and similar repositories for reciprocal_space_attention
Users that are interested in reciprocal_space_attention are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆141May 3, 2026Updated 5 months ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago
- 🔧 Python package for 3rd/4th-order force constant calculation via finite displacement method, with ML potential support & thermal disord…☆19Oct 14, 2026Updated 2 weeks ago
- A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials☆15Feb 9, 2025Updated last year
- ☆28Updated this week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A Python and Machine Learning methods implementation for Crystal Structure Prediction and Diffraction Study☆13Apr 1, 2025Updated last year
- Particle-mesh based calculations of long-range interactions in PyTorch☆83Aug 3, 2026Updated 2 months ago
- Compute neighbor lists for atomistic systems☆88Oct 22, 2026Updated last week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Dec 4, 2023Updated 2 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆106Oct 17, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆42Dec 17, 2024Updated last year
- A flexible and performant framework for training machine learning potentials.☆39Oct 19, 2026Updated last week
- ☆14Dec 14, 2024Updated last year
- 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.
- ☆18Sep 29, 2026Updated last month
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆27Apr 17, 2025Updated last year
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- Python scripts for generating moiré lattices in twisted bilayer 2D materials and creating TMDC nanotubes.☆11Oct 13, 2024Updated 2 years ago
- Some tools to analyze glasses' lattice dynamics and hydrodynamic properties☆11Feb 10, 2026Updated 8 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆22Jul 14, 2026Updated 3 months ago
- This work presents the FALCON (Fast Active Learning for Computational ab initio mOlecular dyNamics) calculator where the ML model is trai…☆13Feb 6, 2026Updated 8 months ago
- ☆26Oct 8, 2025Updated last year
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆42Mar 9, 2026Updated 7 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆84Jun 29, 2026Updated 4 months ago
- graph2mat: Graph to matrix conversion☆25Oct 21, 2026Updated last week
- electrostatic model sandbox based on the MACE MLIP architecture☆40Updated this week
- Training Neural Network potentials through customizable routines in JAX.☆74Oct 23, 2026Updated last week
- train and use graph-based ML models of potential energy surfaces☆131Sep 22, 2026Updated last month
- A Benchmarking Framework for Crystal GNNs☆22Jan 3, 2024Updated 2 years ago
- ☆24Mar 18, 2024Updated 2 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Oct 14, 2026Updated 2 weeks ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated 2 months ago
- Memory-efficient multi layer perceptron implementation in OpenAI Triton.☆13Jan 24, 2025Updated last year
- Implementation of the Euclidean fast attention (EFA) algorithm☆106Jan 7, 2026Updated 9 months ago
- ☆115Sep 4, 2026Updated last month
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆20Jul 16, 2025Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆39May 19, 2026Updated 5 months ago
- This package is for constructing of the LAttice Wannier Functions and other types of Wannier functions.☆12Oct 11, 2026Updated 2 weeks ago