Nitin Pratap Singh

Hi! I would love to work on this issue and improve the robustness of the `linear_regression.py` script by adding appropriate error handling (e.g., input validation, type checking, missing data, etc.)....

I'd like to work on this documentation issue.

Hi! All CI checks except mypy have passed. It looks like the mypy job was cancelled due to a timeout and not due to an error in the code. The...

Thanks for the question. Per-residue flexibility analysis (often reported as per-residue RMSF or equivalent fluctuation profiles) is widely used in MD studies to interpret protein dynamics and function. A few...

@IAlibay I have performed a literature search independently and chose these papers based on my understanding of the use of per-residue RMSF in MD analysis. I do use tooling to...

Amadei et al Essential dynamics of proteins, Proteins (1993). In the Methods (page 3), the authors define the covariance matrix of atomic positions as the time-average of squared deviations from...

@orbeckst Thank you for clarifying. that puts everything in perspective. I see your point concerning technical debt and concur with your approach to prioritize incorporating new features when there is...