Closed Irratzo closed 1 month ago
Actions for exclusion of biomolecules and computational life sciences.
In commit a960c2b, removed category biomolecules
and associated projects UniFold, AlphaFold. Left label biomolecules
in, though. There are still projects that either do not have a biomolecules focus, or they do, but may be used in other ways in atomistic ML from a chemistry / materials science perspective (e.g., the ZINC datasets).
The current disclaimer line about this thematic focus on materials and chemistry in config/header.md
is okay, and does not have to be updated.
Create a new release from this update.
Describe the issue.
The original and current thematic focus of this list is the application of machine learning methods to the domain of atomistic simulation. These include molecular modeling, most notably molecular dynamics, and electronic structure theory, most notably density functional theory. As the list is growing, it begins to touch on domains that have a topical overlap with this focus. The list should not include all areas of overlapping topics for three reasons.
In that light, compile a list of domains with topical overlap to the current focus.
Related topics outside the list's focus.
Try to not include projects into the list that fall more into any of these domains than into the list's thematic focus.
The thematic focus of the list may shift. The list maintainers may change. Consequently, the decisions made here can change, too. These changes should be documented.