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 8 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
- ☆22Jul 25, 2024Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆37Nov 27, 2024Updated last year
- ☆15Jun 18, 2024Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆33Sep 4, 2024Updated last year
- ☆23Dec 17, 2025Updated 4 months ago
- Another Molecular String Representation☆10Apr 21, 2026Updated 2 weeks ago
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated last year
- a curated list of resources for everyone interested in learning about digital chemistry☆42Jan 25, 2026Updated 3 months ago
- 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
- 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.
- ☆40Oct 10, 2025Updated 6 months ago
- ☆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…☆79Nov 24, 2025Updated 5 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 3 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated 2 years ago
- ☆31Nov 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
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 5 months ago
- 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
- Alpha mining with DEAP-based genetic programming.☆11Jul 7, 2023Updated 2 years ago
- ☆17Sep 16, 2025Updated 7 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 10 months ago
- ☆19Aug 4, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- AnIML XML schemas☆20Oct 27, 2025Updated 6 months ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated 2 months ago
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆21Sep 20, 2021Updated 4 years ago
- Examples to deploy neural-network-based sub-grid drag model in C++ platforms (OpenFOAM and CFDEM)☆18Jan 23, 2021Updated 5 years ago
- hierachical automation of the natural sciences☆23Feb 12, 2025Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- Subagent Delegation framework for Pydantic AI, enabling nested subagents that can spawn their own specialists on-the-fly, with smart sync…☆35Apr 20, 2026Updated 2 weeks ago