A Continuous Action Space Tree search for INverse desiGn (CASTING)
☆15Dec 8, 2023Updated 2 years ago
Alternatives and similar repositories for CASTING
Users that are interested in CASTING are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- ☆21May 6, 2024Updated last year
- Fork/mirror of AMPGO code☆11Apr 7, 2015Updated 11 years ago
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆28Mar 8, 2025Updated last year
- ☆13Apr 12, 2022Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Tools related to X-ray absorption spectroscopy (XAS)☆19Jul 5, 2024Updated last year
- Metadynamics code on the G-space.☆15Jan 14, 2026Updated 3 months ago
- Static documentation for skopt.☆13Oct 12, 2021Updated 4 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆24Sep 3, 2024Updated last year
- ☆16Apr 2, 2026Updated last week
- Molecular dynamics simulation and visualization of the Lennard-Jones system utilizing CUDA-enabled GPU's☆17Oct 14, 2025Updated 6 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- ☆12Nov 7, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Graph neural network potential with charge transfer☆37Apr 6, 2022Updated 4 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆44Feb 15, 2023Updated 3 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Oct 11, 2021Updated 4 years ago
- BERTOS: transformer for oxidation state prediction☆15Apr 18, 2025Updated 11 months ago
- A flexible two-column Jekyll theme. Perfect for personal sites, blogs, and portfolios hosted on GitHub or your own server.☆25Jul 11, 2024Updated last year
- Rethinking materials simulations: Blending DNS with Neural Operators☆22Jul 9, 2024Updated last year
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆68Mar 19, 2026Updated 3 weeks ago
- Benchmarking of 1D pattern classification networks☆11Jul 19, 2023Updated 2 years ago
- ☆14Jul 13, 2022Updated 3 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.
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆10Feb 23, 2018Updated 8 years ago
- CIF (Crystallographic Information File) support for Visual Studio Code.☆13Nov 16, 2025Updated 4 months ago
- springboot+uploadifive+qiniuyun 写的一个图床网站，页面布局仿照SM.MS... [SpringBoot入门项目]☆10Jul 3, 2017Updated 8 years ago
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 5 years ago
- A Chemistry Toolkit that turns your AI assistant into a Chemistry coscientist..☆59Jun 9, 2025Updated 10 months ago
- ☆11Feb 1, 2025Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- Deep learning for molecules quantum chemistry properties prediction☆40Apr 14, 2021Updated 5 years ago
- ☆12Jun 26, 2023Updated 2 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.
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Continual Resilient (CoRe) Optimizer for PyTorch☆12Jun 10, 2024Updated last year
- 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☆16Dec 27, 2023Updated 2 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆41Updated this week
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆17Updated this week
- Suite for Analysis of Molecular Simulations☆11Mar 31, 2026Updated 2 weeks ago