Experimental design and (multi-objective) bayesian optimization.
☆369Mar 22, 2026Updated last week
Alternatives and similar repositories for bofire
Users that are interested in bofire are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official implementation of the paper “Limeade: Let integer molecular encoding aid”☆31Apr 16, 2025Updated 11 months ago
- Lightweight tools for experimental design and multi-objective optimization.☆30Jul 22, 2025Updated 8 months ago
- Bayesian Optimization and Design of Experiments☆442Mar 20, 2026Updated last week
- Multiobjective black-box optimization using gradient-boosted trees☆63Feb 19, 2026Updated last month
- ☆11Mar 7, 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.
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆69Nov 25, 2025Updated 4 months ago
- Repository for paper: "SnAKe: Bayesian Optimization with Pathwise Exploration".☆17Feb 9, 2024Updated 2 years ago
- ☆12Mar 5, 2026Updated 3 weeks ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆12Sep 10, 2025Updated 6 months ago
- A Library for Gaussian Processes in Chemistry☆250Oct 11, 2024Updated last year
- Python package for flexible generation of D-optimal experimental designs☆12Jun 6, 2023Updated 2 years ago
- Bayesian Neural Network Surrogates for Bayesian Optimization☆67May 9, 2024Updated last year
- Benchmarking☆31Nov 18, 2021Updated 4 years ago
- Optimising chemical reactions using machine learning☆142Sep 3, 2024Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆19Aug 4, 2024Updated last year
- Code related to the paper "Asynchronous Batch Bayesian Optimisation with Improved Local Penalisation"☆13May 8, 2019Updated 6 years ago
- Bayesian optimization with conformal coverage guarantees☆29Oct 28, 2022Updated 3 years ago
- A Python package for processing molecules with RDKit in scikit-learn☆217Updated this week
- Flexible and accessible design of experiments in Python. Provides industry with an easy package to create designs based with limited expe…☆21Mar 17, 2026Updated last week
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆92Feb 17, 2026Updated last month
- Represent trained machine learning models as Pyomo optimization formulations☆344Jan 11, 2026Updated 2 months ago
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 4 years ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆56Aug 5, 2024Updated last year
- 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.
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆96Nov 24, 2024Updated last year
- Curated list of resources for the Design of Experiments (DOE)☆39Oct 8, 2024Updated last year
- A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accel…☆214Oct 17, 2025Updated 5 months ago
- Bayesian optimization in PyTorch☆3,487Updated this week
- A tool to optimize real world problems☆120Feb 13, 2026Updated last month
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆78Nov 24, 2025Updated 4 months ago
- A repository for evaluating single-step retrosynthesis algorithms☆20Jul 23, 2024Updated last year
- ☆38May 12, 2025Updated 10 months ago
- List of papers on robust Bayesian optimization☆17Dec 2, 2021Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆60Mar 14, 2023Updated 3 years ago
- Accelerate 2024 Workshop on Bayesian Optimization Recipes With BayBE☆10Aug 6, 2024Updated last year
- ☆12Jan 16, 2024Updated 2 years ago
- Experimental Design via Bayesian Optimization☆169Apr 23, 2022Updated 3 years ago
- Foundation Model for Materials - FM4M☆292Jan 24, 2026Updated 2 months ago
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆93Jan 19, 2026Updated 2 months ago
- Bayesian optimization with Standard Gaussian Processes on high dimensional benchmarks☆21Jun 29, 2025Updated 9 months ago