Experimental design and (multi-objective) bayesian optimization.
☆401Aug 17, 2026Updated this 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 last year
- Bayesian Optimization and Design of Experiments☆496Updated this week
- Lightweight tools for experimental design and multi-objective optimization.☆31Updated this week
- Multiobjective black-box optimization using gradient-boosted trees☆64Feb 19, 2026Updated 5 months ago
- ☆11Mar 7, 2023Updated 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.
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆75Jun 24, 2026Updated last month
- Repository for paper: "SnAKe: Bayesian Optimization with Pathwise Exploration".☆17Feb 9, 2024Updated 2 years ago
- ☆14Apr 12, 2026Updated 4 months ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated 11 months ago
- Optimising chemical reactions using machine learning☆150Sep 3, 2024Updated last year
- A Library for Gaussian Processes in Chemistry☆256Oct 11, 2024Updated last year
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆98Feb 17, 2026Updated 6 months ago
- A brain for self-driving laboratories☆53May 21, 2025Updated last year
- ☆19Aug 4, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python package for flexible generation of D-optimal experimental designs☆14Jun 6, 2023Updated 3 years ago
- Code related to the paper "Asynchronous Batch Bayesian Optimisation with Improved Local Penalisation"☆13May 8, 2019Updated 7 years ago
- Bayesian Neural Network Surrogates for Bayesian Optimization☆68May 9, 2024Updated 2 years ago
- A Python package for processing molecules with RDKit in scikit-learn☆228Jul 14, 2026Updated last month
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 5 years ago
- Represent trained machine learning models as Pyomo optimization formulations☆346Jul 9, 2026Updated last month
- This repository contains the code and slides associated with the Sargent Centre PSE Summer School on Bayesian Optimization held in Septem…☆16Sep 2, 2024Updated last year
- Flexible and accessible design of experiments in Python. Provides industry with an easy package to create designs based with limited expe…☆23Jun 16, 2026Updated 2 months ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆102Nov 24, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Bayesian optimization with conformal coverage guarantees☆29Oct 28, 2022Updated 3 years ago
- A tool to optimize real world problems☆127Aug 1, 2026Updated 2 weeks ago
- Benchmarking☆34Nov 18, 2021Updated 4 years ago
- Experimental Design via Bayesian Optimization☆180Mar 31, 2026Updated 4 months ago
- A Python package for calculating molecular features☆235Aug 7, 2026Updated last week
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- Chemist AI Agent for Rational Inverse Design of Materials☆45May 13, 2026Updated 3 months ago
- List of papers on robust Bayesian optimization☆17Dec 2, 2021Updated 4 years ago
- A symbolic regression engine for jax☆42Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆86Jul 29, 2026Updated 2 weeks ago
- GLAS : An open-source easily expandable Git-based Scheduling Architecture for integral Labautomation☆15Feb 26, 2026Updated 5 months ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆58Aug 5, 2024Updated 2 years ago
- Gaussian Processes for Experimental Sciences☆241Jul 4, 2025Updated last year
- Golem: an algorithm for robust experiment and process optimization☆18Mar 8, 2021Updated 5 years ago
- Algorithmic process optimization and AI experiment design☆47Aug 3, 2026Updated 2 weeks ago
- Foundation Model for Materials - FM4M☆314May 13, 2026Updated 3 months ago