Experimental Design via Bayesian Optimization
☆180Mar 31, 2026Updated 5 months ago
Alternatives and similar repositories for edbo
Users that are interested in edbo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Quantum mechanical descriptor generation☆58Oct 27, 2020Updated 5 years ago
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆132Jan 14, 2026Updated 8 months ago
- Benchmarking human and machine learning performance.☆34Jun 9, 2020Updated 6 years ago
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆102Sep 3, 2026Updated 2 weeks ago
- ☆14Apr 12, 2026Updated 5 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Real-time laboratory automation and monitoring in Python.☆23Feb 8, 2023Updated 3 years ago
- Optimising chemical reactions using machine learning☆151Sep 3, 2024Updated 2 years ago
- The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…☆12Feb 12, 2024Updated 2 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆104Nov 24, 2024Updated last year
- ☆19Aug 4, 2024Updated 2 years ago
- ☆61Mar 14, 2023Updated 3 years ago
- Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis☆19Feb 27, 2022Updated 4 years ago
- A Python package for calculating molecular features☆236Sep 2, 2026Updated 2 weeks ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆83Jun 1, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Golem: an algorithm for robust experiment and process optimization☆18Mar 8, 2021Updated 5 years ago
- Official data repository for the Open Reaction Database☆344Sep 1, 2026Updated 2 weeks ago
- Software package for computer aided synthesis planning☆275Nov 27, 2023Updated 2 years ago
- Multiobjective black-box optimization using gradient-boosted trees☆64Feb 19, 2026Updated 7 months ago
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 5 years ago
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆16Jan 12, 2021Updated 5 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆43Mar 20, 2025Updated last year
- automated reaction profile generation☆211Mar 10, 2026Updated 6 months ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Bayesian Optimization and Design of Experiments☆511Updated this week
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆22Aug 24, 2026Updated 3 weeks ago
- A brain for self-driving laboratories☆54May 21, 2025Updated last year
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆35Aug 10, 2022Updated 4 years ago
- Phoenics: Bayesian optimization for efficient experiment planning☆93Jul 3, 2019Updated 7 years ago
- a molecular descriptor calculator☆481Feb 7, 2024Updated 2 years ago
- A tool to optimize real world problems☆127Aug 1, 2026Updated last month
- This repository contains the source code for “Thompson sampling efficient multiobjective optimization” (TSEMO).☆109Jun 19, 2020Updated 6 years ago
- 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.
- ☆11Dec 27, 2021Updated 4 years ago
- Graph Learning over Macromolecule Representations☆27Dec 31, 2022Updated 3 years ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆59Aug 5, 2024Updated 2 years ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆141Aug 5, 2022Updated 4 years ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆76Jun 24, 2026Updated 2 months ago
- ☆66Jun 22, 2022Updated 4 years ago
- Predicting reaction performance using machine learning☆62Oct 3, 2020Updated 5 years ago