Lightweight tools for experimental design and multi-objective optimization.
☆30Jul 22, 2025Updated 7 months ago
Alternatives and similar repositories for mopti
Users that are interested in mopti are comparing it to the libraries listed below
Sorting:
- Repository for paper: "SnAKe: Bayesian Optimization with Pathwise Exploration".☆17Feb 9, 2024Updated 2 years ago
- ☆10Mar 7, 2023Updated 3 years ago
- Official implementation of the paper “Limeade: Let integer molecular encoding aid”☆31Apr 16, 2025Updated 11 months ago
- Experimental design and (multi-objective) bayesian optimization.☆367Mar 12, 2026Updated last week
- Multiobjective black-box optimization using gradient-boosted trees☆63Feb 19, 2026Updated last month
- Optimising chemical reactions using machine learning☆141Sep 3, 2024Updated last year
- Python package for flexible generation of D-optimal experimental designs☆12Jun 6, 2023Updated 2 years ago
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆42Sep 5, 2024Updated last year
- Design of Experiments in Python☆29Aug 12, 2020Updated 5 years ago
- hierachical automation of the natural sciences☆23Feb 12, 2025Updated last year
- Toolbox for non-linear calibration modeling.☆29Jan 30, 2026Updated last month
- Flexible and accessible design of experiments in Python. Provides industry with an easy package to create designs based with limited expe…☆21Updated this week
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 4 years ago
- Joint entropy search☆21Dec 7, 2022Updated 3 years ago
- Represent trained machine learning models as Pyomo optimization formulations☆342Jan 11, 2026Updated 2 months ago
- Unified API for working with multiple dataclass-like libraries☆19Mar 2, 2026Updated 2 weeks ago
- Special Structure Detection for Pyomo☆27Jul 14, 2022Updated 3 years ago
- Store your chemical data in a single file!☆12May 7, 2025Updated 10 months ago
- Bayesian optimization for chemistry☆19Mar 20, 2024Updated 2 years ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆24Feb 12, 2026Updated last month
- A Python package for processing molecules with RDKit in scikit-learn☆217Updated this week
- Griffe extension to inject field metadata into mkdocstrings (supports dataclasses, pydantic, attrs, and more)☆23Mar 2, 2026Updated 2 weeks ago
- Formulate trained predictors in Gurobi models☆247Mar 2, 2026Updated 2 weeks ago
- molecular mechanics optimisation☆17Aug 28, 2023Updated 2 years ago
- Deep reinforcement learning for design of distillation column trains (chemical engineering process synthesis)☆40Oct 13, 2021Updated 4 years ago
- A collection of molecular optimisers and property calculators for use with stk.☆24Dec 7, 2025Updated 3 months ago
- A vector-based map and set implementation for rust☆16Mar 1, 2026Updated 2 weeks ago
- Tool for parameter estimation and uncertainty quantification.☆11Nov 13, 2024Updated last year
- Modeling robust optimization problems in Pyomo☆88Nov 11, 2022Updated 3 years ago
- A plugin for Spyder to enable Vim keybindings☆16Oct 28, 2025Updated 4 months ago
- ☆11Sep 2, 2024Updated last year
- The CTGViewer: display cardiotocography (CTG) records -- fetal heart rate and uterine contractions.☆10Feb 22, 2019Updated 7 years ago
- A set of examples to optimize process simulators with Python (PSO) - PyConES 2016☆32Mar 20, 2017Updated 9 years ago
- Project Status: Deprecated (DESDEO 1.0) : This repository contains legacy DESDEO 1.0 software and is no longer actively maintained. Activ…☆14Feb 2, 2026Updated last month
- Efficient misspecification uncertainties for linear regression☆16Updated this week
- Using quantum chemical computation to find important reactions without requiring human intuition.☆18May 9, 2018Updated 7 years ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated last month
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Oct 4, 2024Updated last year
- Python wrapper around cvodes (from the sundials library)☆35Sep 9, 2025Updated 6 months ago