This repository curates open-source models and related resources for the PXRD to crystal structure generation task.
☆20Oct 23, 2026Updated this week
Alternatives and similar repositories for awesome_pxrd2xtal_generation
Users that are interested in awesome_pxrd2xtal_generation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.☆26Jul 14, 2026Updated 3 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- Accelerated molecular crystal structure determination from powder diffraction data☆14Jun 20, 2025Updated last year
- ☆17Sep 28, 2026Updated last month
- ☆13May 7, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆25Oct 3, 2024Updated 2 years ago
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆60Jun 30, 2026Updated 3 months ago
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆64Jul 31, 2026Updated 2 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆19Sep 24, 2026Updated last month
- ☆13Jun 29, 2025Updated last year
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆36Jan 16, 2026Updated 9 months ago
- Code for ACL 2023 Oral Paper: ManagerTower: Aggregating the Insights of Uni-Modal Experts for Vision-Language Representation Learning☆12Aug 23, 2025Updated last year
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆17Oct 2, 2026Updated 3 weeks ago
- Deep PXRD Crystallography with CDVAE.☆32Jun 27, 2025Updated 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.
- ☆13Dec 15, 2023Updated 2 years ago
- A Python and Machine Learning methods implementation for Crystal Structure Prediction and Diffraction Study☆13Apr 1, 2025Updated last year
- Computational High-Entropy Alloy Tools☆11May 1, 2023Updated 3 years ago
- AutoFP is an auto tools for FullProf Rietveld refinement with expert system algorithm !☆40Jun 28, 2026Updated 4 months ago
- ☆25Jul 10, 2026Updated 3 months ago
- Terminal based crystal structure viewer☆16Jun 19, 2026Updated 4 months ago
- A cellular automaton for simulation solid state reactions☆20Oct 20, 2026Updated last week
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 5 years ago
- Free Objects for Crystallography : Fox / ObjCryst++☆26Sep 19, 2026Updated last month
- 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.
- 'Discovery and recovery of crystalline materials with property-conditioned transformers' Zoo☆20Oct 13, 2026Updated 2 weeks ago
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Mar 25, 2019Updated 7 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Globus SDK for JavaScript☆11Oct 22, 2026Updated last week
- 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
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated 2 months ago
- An MCP-compatible server providing atomistic simulation capabilities through ASE, pymatgen, etc.☆12Oct 22, 2026Updated last week
- Energy shape calculator for the porous materials☆11Jun 17, 2020Updated 6 years ago
- A Jupyter Extension for Adding Pug Photos to Your Notebook☆11Mar 2, 2016Updated 10 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Generalized Contrastive Alignment (GCA) - NeurIPS 2024☆14Nov 8, 2025Updated 11 months ago
- Open-source framework for science presentations and talks, generating interactive HTML from simple Python based interface.☆13Jul 21, 2025Updated last year
- Grand canonical optimization of grain boundary phases.☆34Jul 6, 2026Updated 3 months ago
- PyTorch implementations of the beta divergence loss.☆11Jan 31, 2022Updated 4 years ago
- Corso di Statistica Descrittiva per Data Scientist☆12Oct 14, 2021Updated 5 years ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- ☆14Sep 14, 2025Updated last year