Bayesian Optimization and Design of Experiments
☆493Aug 11, 2026Updated this week
Alternatives and similar repositories for baybe
Users that are interested in baybe are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Experimental design and (multi-objective) bayesian optimization.☆401Updated this week
- Accelerate 2024 Workshop on Bayesian Optimization Recipes With BayBE☆10Aug 6, 2024Updated 2 years ago
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆97Feb 17, 2026Updated 5 months ago
- A tool to optimize real world problems☆127Aug 1, 2026Updated last week
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆75Jun 24, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Algorithmic process optimization and AI experiment design☆47Aug 3, 2026Updated last week
- A brain for self-driving laboratories☆53May 21, 2025Updated last year
- A Python package for calculating molecular features☆235Updated this week
- Bayesian optimization for chemistry☆19Mar 20, 2024Updated 2 years ago
- ☆19Aug 4, 2024Updated 2 years ago
- ☆54Apr 2, 2024Updated 2 years ago
- ☆14Apr 12, 2026Updated 4 months ago
- A lightweight AutoML framework for small datasets (<1k samples) with high dimensionality (number of features).☆18Jun 8, 2026Updated 2 months ago
- fastsolv python package, website, and paper code☆52Aug 27, 2025Updated 11 months 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.
- ☆54Jul 1, 2026Updated last month
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆37Apr 29, 2026Updated 3 months ago
- Experimental Design via Bayesian Optimization☆180Mar 31, 2026Updated 4 months ago
- ☆25Jan 22, 2025Updated last year
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Feb 14, 2024Updated 2 years ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- Machine Learning model for molecular micro-pKa prediction☆52Sep 28, 2024Updated last year
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆106Jul 16, 2024Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆48Jul 15, 2026Updated 3 weeks ago
- AI Agents on 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.
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆35Jul 24, 2026Updated 2 weeks ago
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆85Jul 29, 2026Updated 2 weeks ago
- Foundation Model for Materials - FM4M☆313May 13, 2026Updated 2 months ago
- A Library for Gaussian Processes in Chemistry☆256Oct 11, 2024Updated last year
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated 11 months ago
- Practical Cheminformatics Tutorials☆1,291May 2, 2026Updated 3 months ago
- Optimising chemical reactions using machine learning☆150Sep 3, 2024Updated last year
- ☆15Jan 9, 2025Updated last year
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆102Nov 24, 2024Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆132Jul 7, 2026Updated last month
- Materials for ACerS Automated Experiment Course☆20Apr 11, 2026Updated 4 months ago
- ☆24Dec 17, 2025Updated 7 months ago
- Repository for the code and documentation of EveRplot☆16May 17, 2026Updated 2 months ago
- Community-Maintained Version of mordred☆110Updated this week
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packa…☆20Feb 16, 2023Updated 3 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago