Official implementation of the paper “Limeade: Let integer molecular encoding aid”
☆31Apr 16, 2025Updated last year
Alternatives and similar repositories for Limeade
Users that are interested in Limeade are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Repository for paper: "SnAKe: Bayesian Optimization with Pathwise Exploration".☆17Feb 9, 2024Updated 2 years ago
- ☆11Mar 7, 2023Updated 3 years ago
- Experimental design and (multi-objective) bayesian optimization.☆392Updated this week
- Multiobjective black-box optimization using gradient-boosted trees☆64Feb 19, 2026Updated 4 months ago
- Lightweight tools for experimental design and multi-objective optimization.☆31Jul 22, 2025Updated 11 months 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.
- Reinforcement learning environments for process control applications.☆90Jun 12, 2026Updated 2 weeks ago
- Represent trained machine learning models as Pyomo optimization formulations☆343Jun 24, 2026Updated last week
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 4 years ago
- Batched High-dimensional Bayesian Optimization via Structural Kernel Learning☆15Dec 30, 2018Updated 7 years ago
- hierachical automation of the natural sciences☆24Feb 12, 2025Updated last year
- A collection of tools (classes, functions, etc.) for developing MINLP algorithms☆39Oct 27, 2023Updated 2 years ago
- A Python package for fitting Quinlan's Cubist regression model☆60May 31, 2026Updated last month
- Data and codes of the paper "Convex Maximization via Adjustable Robust Optimization"☆19May 18, 2022Updated 4 years ago
- Certified robustness of deep neural networks☆19Aug 20, 2024Updated 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.
- Learning-to-Optimize for Mixed-Integer Non-Linear Programming☆67Mar 10, 2026Updated 3 months ago
- ☆17May 14, 2026Updated last month
- Code for "Explainable Data-Driven Optimization" (ICML 2023)☆13Jul 21, 2023Updated 2 years ago
- A vector-based map and set implementation for rust☆17Jun 9, 2026Updated 3 weeks ago
- Simulation of manufacturing systems☆15Mar 15, 2022Updated 4 years ago
- ☆22Jun 20, 2025Updated last year
- pyPhi is a python package to perform multivariate analysis using PCA and PLS methods☆59Apr 14, 2026Updated 2 months ago
- PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.☆16Oct 26, 2021Updated 4 years ago
- An experimental solver for (disjunctive) mixed-integer programming☆11Aug 27, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Modeling robust optimization problems in Pyomo☆88Nov 11, 2022Updated 3 years ago
- Gaussian processes with spherical harmonic features in JAX☆16Aug 24, 2025Updated 10 months ago
- CBE 30338 Data Analytics, Optimization, and Control☆14Apr 25, 2026Updated 2 months ago
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆43Sep 5, 2024Updated last year
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated last year
- Code related to the paper "Asynchronous Batch Bayesian Optimisation with Improved Local Penalisation"☆13May 8, 2019Updated 7 years ago
- ☆14Apr 12, 2026Updated 2 months ago
- Hansen Solubility Parameters in Python.☆25Jun 2, 2026Updated 3 weeks ago
- An open-source library crafting efficient algorithms for Mixed Integer Linear Programming (MILP) challenges.☆13May 4, 2024Updated 2 years 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.
- DEFT-FUNNEL: An open-source global optimization solver for constrained grey-box and black-box problems in Matlab.☆12Jun 29, 2021Updated 5 years ago
- Efficient non-linear PCA through kernel PCA with the Nyström method☆13May 19, 2023Updated 3 years ago
- PiFlow: Principle-aware Scientific Discovery with Multi-Agent Collaboration☆48Jan 7, 2026Updated 5 months ago
- Plumbing for Optimization with Asynchronous Parallelism☆12Aug 2, 2019Updated 6 years ago
- Empirical Model Learning Library☆19Mar 25, 2023Updated 3 years ago
- Web platform for the design of DES solvents☆18Aug 16, 2023Updated 2 years ago
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆18Mar 14, 2025Updated last year