The Group Publication Policy mandates that all data and code related to simulation runs and data analysis must be published to ensure transparency and reproducibility. Just think about if you are the one reading this paper, can you reproduce all the results (including figures and tables) with the available information published and how difficult to reproduce them.
This includes:
- Data Publication: Useful raw and processed data generated during research activities must be made publicly available. This ensures that other researchers can verify results and build upon the work. Some examples of data include:
- Simulation input files, force field parameters
- Python code (or written in any other languages) for data analysis
- Code Publication: Any code used for simulations, data analysis, or any other computational work must be shared. This includes scripts, algorithms, and software configurations necessary to reproduce the results.
- Documentation: Comprehensive documentation must accompany the published data and code. This includes detailed descriptions of the methods, tools, and procedures used in the research to enable others to understand and replicate the work.
By adhering to these norms, the group promotes open science practices, fostering collaboration and enhancing the credibility and impact of its research outputs.
Suggested reads:
https://pubs.acs.org/doi/full/10.1021/acs.jcim.3c00599
https://www.tandfonline.com/doi/full/10.1080/00268976.2020.1742938