Experimental Design via Bayesian Optimization
☆183Mar 31, 2026Updated 7 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 6 years ago
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆133Jan 14, 2026Updated 9 months ago
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆105Sep 3, 2026Updated last month
- Benchmarking human and machine learning performance.☆34Jun 9, 2020Updated 6 years ago
- ☆14Apr 12, 2026Updated 6 months ago
- 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.
- Optimising chemical reactions using machine learning☆155Sep 3, 2024Updated 2 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆107Nov 24, 2024Updated last year
- The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…☆12Feb 12, 2024Updated 2 years ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆60Aug 5, 2024Updated 2 years ago
- Bayesian Optimization and Design of Experiments☆521Updated this week
- ☆19Aug 4, 2024Updated 2 years ago
- Software package for computer aided synthesis planning☆279Nov 27, 2023Updated 2 years ago
- Real-time laboratory automation and monitoring in Python.☆23Feb 8, 2023Updated 3 years ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆142Aug 5, 2022Updated 4 years 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.
- A tool to optimize real world problems☆131Aug 1, 2026Updated 2 months ago
- A Python package for calculating molecular features☆239Sep 2, 2026Updated last month
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆14Jun 27, 2025Updated last year
- Official data repository for the Open Reaction Database☆350Oct 23, 2026Updated last week
- ☆61Mar 14, 2023Updated 3 years ago
- automated reaction profile generation☆217Updated this week
- Schema for the Open Reaction Database☆116Updated this week
- 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
- 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.
- a molecular descriptor calculator☆484Feb 7, 2024Updated 2 years ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆76Jun 24, 2026Updated 4 months ago
- ☆25Dec 17, 2025Updated 10 months 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
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆12Apr 11, 2021Updated 5 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆20Dec 8, 2020Updated 5 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆84Jun 1, 2025Updated last year
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆21Aug 25, 2021Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Mixed Variable Multi-Objective Optimisation☆21Jul 9, 2021Updated 5 years ago
- Predicting reaction performance using machine learning☆62Oct 3, 2020Updated 6 years ago
- ☆66Jun 22, 2022Updated 4 years ago
- 10.26434/chemrxiv-2022-qqxd1☆10Oct 26, 2022Updated 4 years ago
- Multiobjective black-box optimization using gradient-boosted trees☆64Feb 19, 2026Updated 8 months ago
- ☆262May 17, 2024Updated 2 years ago
- Diffusion-based molecule conformer generation☆47Apr 22, 2024Updated 2 years ago