This repository curates open-source models and related resources for the PXRD to crystal structure generation task.
☆20Sep 26, 2026Updated last 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 2 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- ☆17Sep 28, 2026Updated last week
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆25Oct 3, 2024Updated 2 years 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
- 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.
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆36Jan 16, 2026Updated 8 months ago
- Sentence VAE using the Transformer encoder-decoder architecture.☆12Nov 30, 2024Updated last year
- Accelerated molecular crystal structure determination from powder diffraction data☆14Jun 20, 2025Updated last year
- ☆13Dec 15, 2023Updated 2 years ago
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆62Jul 31, 2026Updated 2 months ago
- Official PyTorch implementation of "Hierarchical Entity-centric Reinforcement Learning with Factored Subgoal Diffusion", Haramati et al.,…☆16Feb 23, 2026Updated 7 months ago
- ☆25Jul 10, 2026Updated 2 months ago
- Deep PXRD Crystallography with CDVAE.☆32Jun 27, 2025Updated last year
- A cellular automaton for simulation solid state reactions☆20Sep 14, 2026Updated 3 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Terminal based crystal structure viewer☆16Jun 19, 2026Updated 3 months ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 5 years ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆18Sep 24, 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
- PyTorch implementations of the beta divergence loss.☆11Jan 31, 2022Updated 4 years ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- A Jupyter Extension for Adding Pug Photos to Your Notebook☆11Mar 2, 2016Updated 10 years ago
- ☆12Mar 31, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- [ICLR 2026] CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics☆29Nov 1, 2025Updated 11 months ago
- 🎙️ Fast, installable, in-browser audio spectrum visualizer. Support for both realtime and audio files!☆18Mar 9, 2025Updated last year
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆57Jun 30, 2026Updated 3 months ago
- Spark.io library for downloading files over HTTP☆11Jun 11, 2016Updated 10 years ago
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆21Feb 18, 2025Updated last year
- ☆28Jul 28, 2023Updated 3 years ago
- Simple guide of high performance computing (HPC) for green hands.☆11Sep 19, 2022Updated 4 years ago
- Space group equivariant crystal diffusion [NeurIPS 2025]☆28Apr 24, 2026Updated 5 months ago
- Rust library for parsing regular languages☆16Feb 12, 2016Updated 10 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Environmental Sensor Data Repository (ESDR)☆12Jul 10, 2024Updated 2 years ago
- A Python package to assist with parameterization and construction of all-atomistic polymer simulations☆18Feb 11, 2025Updated last year
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆25Jun 30, 2026Updated 3 months ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆16Dec 18, 2025Updated 9 months ago
- ☆31Sep 29, 2026Updated last week
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Oct 2, 2026Updated last week
- Browser plugin-free CIF visualization: comparison of the open-source engines☆23Jul 17, 2020Updated 6 years ago