Experimental design and Bayesian optimization library in Python/PyTorch
☆57Aug 5, 2024Updated last year
Alternatives and similar repositories for nextorch
Users that are interested in nextorch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 5 years ago
- ☆14Apr 12, 2026Updated 3 months ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- Benchmarking☆34Nov 18, 2021Updated 4 years ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆75Jun 24, 2026Updated 3 weeks 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.
- Optimising chemical reactions using machine learning☆150Sep 3, 2024Updated last year
- A Multi-objective Multi-fidelity acquisition function for Bayesian optimization based on EHVI method.☆14May 18, 2022Updated 4 years ago
- A tool to optimize real world problems☆127Jul 1, 2026Updated 2 weeks ago
- A recommender for Magic: The Gathering cards using K-Means Clustering and a crawled dataset of professional decks.☆17Apr 5, 2019Updated 7 years ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆26Sep 15, 2022Updated 3 years ago
- Utility to compile string of chemical terms into data structure with chemical formula and composition☆13Sep 17, 2021Updated 4 years ago
- Code for training machine learning model for reaction condition prediction☆48Apr 30, 2020Updated 6 years ago
- Repository for paper: "SnAKe: Bayesian Optimization with Pathwise Exploration".☆17Feb 9, 2024Updated 2 years ago
- Opensource software to model heterogeneous catalytic reactions. Based on Cantera☆19Jan 18, 2024Updated 2 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.
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Jul 6, 2017Updated 9 years ago
- A simple, dynamic SiLA 2 client for coordinating various services.☆15Dec 5, 2023Updated 2 years ago
- ☆20Apr 29, 2024Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- A brain for self-driving laboratories☆52May 21, 2025Updated last year
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆94Feb 17, 2026Updated 5 months ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆98Nov 24, 2024Updated last year
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Nov 17, 2023Updated 2 years ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Simplified Python SDK for interacting with the Waters Empower Web API☆25Jun 29, 2026Updated 3 weeks ago
- ☆60Mar 14, 2023Updated 3 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆98Apr 13, 2026Updated 3 months ago
- Experimental Design via Bayesian Optimization☆177Mar 31, 2026Updated 3 months ago
- Toolbox for non-linear calibration modeling.☆31Updated this week
- Golem: an algorithm for robust experiment and process optimization☆18Mar 8, 2021Updated 5 years ago
- Extracts data from tables with complicated structures.☆17Mar 14, 2025Updated last year
- Probing the limitations of multimodal language models for chemistry and materials research☆24Feb 1, 2026Updated 5 months ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆26Jul 2, 2023Updated 3 years ago
- ☆13Dec 28, 2023Updated 2 years ago
- Zeolite GAN☆28Jun 17, 2020Updated 6 years ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization☆90Jun 29, 2026Updated 3 weeks ago
- NUBO is a Bayesian optimisation framework for the optimisation of expensive-to-evaluate black-box functions developed by the Fluid Dynami…☆15Sep 11, 2025Updated 10 months ago
- POOL (Peptide Optimization with Optimal Learning): code for "Discovering de novo peptide substrates for enzymes using machine learning"☆10Oct 18, 2018Updated 7 years ago