☆16Oct 8, 2023Updated 2 years ago
Alternatives and similar repositories for multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
Users that are interested in multi-fidelity-BO-of-COFs-for-Xe-Kr-seps are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 3 years ago
- A python package designed to communicate among various chemical and materials calculational tools☆15Dec 8, 2025Updated 8 months ago
- ☆10Mar 25, 2023Updated 3 years ago
- Bayesian optimization used for kuka workflow☆20Mar 21, 2023Updated 3 years ago
- ☆15Jul 22, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago
- Dimethyl ether/Methanol to Olefins (DMTO) is one of the important unit in coal chemical industry, and the distribution of its reaction p…☆11Jul 27, 2022Updated 4 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 9 months ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- A Multi-objective Multi-fidelity acquisition function for Bayesian optimization based on EHVI method.☆14May 18, 2022Updated 4 years ago
- Augmented Memory and Beam Enumeration implementation☆28Jun 9, 2024Updated 2 years ago
- Machine learning force field method on transition state searching in Catalyst☆15Sep 5, 2025Updated 11 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Jul 2, 2026Updated last month
- Split a MOF into its building blocks.☆25Dec 24, 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.
- Atom2Vec: a simple way to describe atoms for machine learning☆38Feb 23, 2024Updated 2 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- ☆17Mar 25, 2025Updated last year
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- ☆20May 7, 2024Updated 2 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆24Jun 17, 2024Updated 2 years ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 3 years ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Chemist AI Agent for Rational Inverse Design of Materials☆45May 13, 2026Updated 3 months ago
- ☆13Mar 17, 2024Updated 2 years ago
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆30Mar 8, 2025Updated last year
- Datasets from a fluid catalytic cracking unit to evaluate FDD techniques☆24Dec 3, 2023Updated 2 years ago
- A brain for self-driving laboratories☆53May 21, 2025Updated last year
- BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials☆25May 28, 2020Updated 6 years ago
- ☆22Nov 13, 2025Updated 9 months ago
- ☆15Jun 8, 2022Updated 4 years ago
- ☆37Sep 18, 2025Updated 11 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.
- Interactive Jupyter notebooks that illustrate solutions of linear heat, Laplace, transport, and wave equations☆10Nov 7, 2023Updated 2 years ago
- ☆11Sep 29, 2019Updated 6 years ago
- Active learning applied to Pd-catalyzed C-N couplings.☆14Feb 21, 2025Updated last year
- Formula of Machine Learning☆14Sep 2, 2018Updated 7 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 3 years ago
- Comparing dollar-cost averaging frequencies 🤓☆15Apr 23, 2024Updated 2 years ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year