cloud-surge
Massively parallel computation of chemical spaces in cloud environments with surge
Science Score: 57.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 7 DOI reference(s) in README -
✓Academic publication links
Links to: zenodo.org -
○Academic email domains
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✓Institutional organization owner
Organization steinbeck-lab has institutional domain (cheminf.uni-jena.de) -
○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (12.2%) to scientific vocabulary
Keywords
Repository
Massively parallel computation of chemical spaces in cloud environments with surge
Basic Info
- Host: GitHub
- Owner: Steinbeck-Lab
- License: mit
- Language: Jupyter Notebook
- Default Branch: main
- Homepage: https://steinbeck-lab.github.io/cloud-surge/
- Size: 121 MB
Statistics
- Stars: 1
- Watchers: 4
- Forks: 0
- Open Issues: 2
- Releases: 1
Topics
Metadata Files
README.md
Overview of Cloud Surge
Massively parallel computation of chemical spaces in cloud environments with Surge.
To demonstrate the efficient utilization of Surge in cloud environments such as GKE, we provide a set of Docker images, GKE Platform configurations, and other scripts for constructing large databases.
Documentation
https://steinbeck-lab.github.io/cloud-surge/
Installation
GKE Deployment Instructions: https://steinbeck-lab.github.io/cloud-surge/deployment.html
Local setup: https://steinbeck-lab.github.io/cloud-surge/installation.html
Citation
Venkata, C., Yirik, M. A., Sharma, N., Rajan, K., McKay, B. D., Neumann, S., & Steinbeck, C. (2023). "cloud-surge (Version v1.0.0-beta) [Computer software]." Zenodo. https://doi.org/10.5281/zenodo.8383954.
License
This project (Cloud - Surge) is licensed under the MIT License - see the LICENSE file for details.
Maintained by
Cloud Surge and Surge are developed and maintained by the Steinbeck group at the Friedrich Schiller University Jena, Germany. The code for this web application is released under the MIT license.
Acknowledgments
Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure NFDI4Chem Project number: 441958208.
Owner
- Name: Steinbeck-Lab
- Login: Steinbeck-Lab
- Kind: organization
- Website: https://cheminf.uni-jena.de
- Repositories: 28
- Profile: https://github.com/Steinbeck-Lab
Official GitHub organization for the Steinbeck group Jena, Germany
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