Python code for the paper Bayesian Optimization of Nanoporous Materials.
☆24Mar 3, 2023Updated 3 years ago
Alternatives and similar repositories for BO_of_COFs
Users that are interested in BO_of_COFs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆33Aug 3, 2021Updated 4 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆36Apr 29, 2026Updated 2 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 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.
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated 9 months ago
- Superconductors material dataset☆28Dec 5, 2023Updated 2 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Tracking citations of atomistic simulation engines☆27Jun 22, 2026Updated 2 weeks ago
- Benchmarking☆34Nov 18, 2021Updated 4 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 5 months 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.
- Mirror of http://zeoplusplus.org/☆14May 3, 2018Updated 8 years ago
- Inverse materials design via invertible neural networks☆67Mar 20, 2023Updated 3 years ago
- ☆10Mar 25, 2023Updated 3 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆66Jun 5, 2026Updated last month
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- ☆12Nov 8, 2025Updated 8 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆70Dec 7, 2025Updated 7 months ago
- Course repository for 06-623☆13Mar 31, 2020Updated 6 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.
- ☆14Apr 12, 2026Updated 2 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.