MolSSI Guidelines, Checklists and Best Practices

The present website hosts the Molecular Sciences Software Institute (MolSSI)’s recommendations and guidelines to promote FAIR data management, and improve OpenSource and appropriate scientific software citation practices across all disciplines within the computer and molecular science (CMS) communities.

Our current list of guidelines cosissts of the following set of documents

• 1. MolSSI Guidelines for Software Publications on Zenodo Platform
  • 1.1. MolSSI Publishing Guidelines on Zenodo Platform
• 2. Machine Learning Guidelines
  • 2.1. MolSSI Formatting Guidelines for Machine Learning Products
• 3. High-Performance Computing Guidelines
  • 3.1. MolSSI Guidelines on APOD Cyclic Parallelization Strategy
• 4. References
• 5. Acknowledgements

Indices and tables

• Index

• Module Index

• Search Page