Learning to Discover Crystallographic Structures with Generative Adversarial Networks
☆40Nov 21, 2019Updated 6 years ago
Alternatives and similar repositories for CrystalGAN
Users that are interested in CrystalGAN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 years ago
- image-based generative model for inverse design of solid state materials☆44Feb 18, 2022Updated 4 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆43Feb 15, 2023Updated 3 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.
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆36Nov 7, 2019Updated 6 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- ☆20Oct 18, 2022Updated 3 years ago
- ☆12Mar 11, 2026Updated last month
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆86Dec 17, 2024Updated last year
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆17Nov 3, 2025Updated 6 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- ☆31Apr 17, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆35Feb 17, 2022Updated 4 years ago
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated 2 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆104Jan 13, 2026Updated 3 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆861Sep 6, 2021Updated 4 years ago
- ☆34Jul 14, 2024Updated last year
- A code for generating irreducible site-occupancy configurations☆55Dec 19, 2023Updated 2 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated 11 months ago
- Predict materials properties using only the composition information!☆125Apr 23, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- Scalable graph neural networks for materials property prediction☆65Feb 2, 2026Updated 3 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆159Mar 16, 2026Updated last month
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆319Aug 25, 2025Updated 8 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆372Aug 14, 2024Updated last year
- An automatic engine for predicting materials properties.☆169Nov 12, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Materials Project Documentation☆13Jun 2, 2022Updated 3 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆555Apr 27, 2023Updated 3 years ago
- ☆22Aug 31, 2020Updated 5 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- Neural Network Crystal Synthesizability Predictor (NNCSP)☆12Aug 29, 2024Updated last year
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆23Mar 12, 2022Updated 4 years ago