The official code respository for "Rethinking the role of frames for SE(3)-invariant crystal structure modeling" (ICLR 2025)
☆20Oct 16, 2025Updated 7 months ago
Alternatives and similar repositories for crystalframer
Users that are interested in crystalframer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆28Mar 8, 2025Updated last year
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆21Jun 28, 2024Updated last year
- ☆15Nov 29, 2023Updated 2 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆111Dec 15, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆20Nov 3, 2025Updated 7 months ago
- Official repo for the ICTP/School on Parallel Programming and Parallel Architecture for High Performance Computing☆12Jun 25, 2024Updated last year
- [Preprint] Graph State Space Convolution (GSSC)☆14Jun 11, 2024Updated 2 years ago
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆61Sep 26, 2025Updated 8 months ago
- [ICML 2024] How Interpretable Are Interpretable Graph Neural Networks?☆16Jun 27, 2024Updated last year
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- PyTorch implementations of the beta divergence loss.☆11Jan 31, 2022Updated 4 years ago
- Learning Transferable Features with Deep Adaptation Networks☆12Jul 18, 2023Updated 2 years ago
- 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.
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆72Jun 8, 2026Updated last week
- LAttice DYnamic tools☆16Nov 17, 2025Updated 6 months ago
- [ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark☆28May 24, 2026Updated 3 weeks ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Descriptors (isometry invariants) of crystals based on geometry.☆39Nov 17, 2025Updated 6 months ago
- ☆14Jul 13, 2022Updated 3 years ago
- ☆23Jul 3, 2025Updated 11 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- [MGE Advances 2025] Offical implement of BgoFace☆19May 12, 2026Updated last month
- 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.
- CIF (Crystallographic Information File) support for Visual Studio Code.☆13Nov 16, 2025Updated 6 months ago
- Script to install and configure common programs in a new iSH Alpine Linux filesystem☆14Jan 6, 2022Updated 4 years ago
- [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection☆14Jun 4, 2026Updated last week
- GPU移植のための実装例（直接法に基づくN体計算）☆17Apr 11, 2026Updated 2 months ago
- Domain Adaptation via Transfer Component Analysis☆16Nov 7, 2025Updated 7 months ago
- ☆11Feb 1, 2025Updated last year
- Show / hide cursorline automatically☆18Aug 25, 2023Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆46Aug 20, 2024Updated last year
- Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.☆11Nov 10, 2022Updated 3 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.
- Deep learning model zoo with PyTorch 1.X☆16Apr 13, 2019Updated 7 years ago
- Python bindings for VE Offloading (VEO) for SX-Aurora Vector Engine☆17Dec 27, 2023Updated 2 years ago
- Data for the Foundations of Applied Mathematics lab curriculum.☆30Aug 8, 2024Updated last year
- ☆12Feb 2, 2024Updated 2 years ago
- ☆19Jun 4, 2021Updated 5 years ago
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 9 months ago