AROPS: A Framework of Automated Reaction Optimization with Parallelized Scheduling
☆11Feb 28, 2023Updated 3 years ago
Alternatives and similar repositories for AROPS
Users that are interested in AROPS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated 10 months ago
- InsightGraph: A Visual Journey through Materials Articles☆18Jul 20, 2023Updated 2 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆13Jan 17, 2022Updated 4 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- ☆23Jul 25, 2024Updated 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.
- ☆39Nov 27, 2024Updated last year
- ☆15Jun 18, 2024Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆34Sep 4, 2024Updated last year
- ☆24Dec 17, 2025Updated 6 months ago
- Another Molecular String Representation☆10Jun 23, 2026Updated last week
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated last year
- Heteroscedastic Bayesian Optimisation in Numpy☆24Feb 15, 2023Updated 3 years ago
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- ☆43Jun 10, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆24Nov 24, 2024Updated last year
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆83Nov 24, 2025Updated 7 months ago
- Bayesian MPNNs for Molecular Property Prediction☆30Dec 30, 2020Updated 5 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated 2 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 3 years ago
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 7 months 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.
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago
- Teaching Material☆15Oct 2, 2024Updated last year
- Simple User-Friendly Reaction Format☆19Oct 22, 2024Updated last year
- ☆16Sep 16, 2025Updated 9 months ago
- Atom-in-SMILES tokenizer for SMILES strings.☆44Jul 29, 2024Updated last year
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- ☆19Aug 4, 2024Updated last year
- AnIML XML schemas☆20Oct 27, 2025Updated 8 months ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated 4 months 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.
- hierachical automation of the natural sciences☆24Feb 12, 2025Updated last year
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆23Sep 20, 2021Updated 4 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 years ago
- ☆69May 11, 2022Updated 4 years ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆86Jan 22, 2026Updated 5 months ago
- Subagent Delegation framework for Pydantic AI, enabling nested subagents that can spawn their own specialists on-the-fly, with smart sync…☆46Jun 27, 2026Updated last week