RosettaCommons / RosettaCommons/atomworks

Extend `AtomWorks` for sequence-based tasks

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enhancement
Dominant language
Python
Stars
446
Forks
52
PR merge metrics
No merged PRs in 30d

Description

In theory, the AtomWorks library could be trivially extended to support sequence use cases as well.

Instead of the AtomArray, Biotite's sequence could be used as the common representation maintained throughout a Transform pipe. We'd need a different way of loading files as well since parse or load_any are no longer appropriate.

The main benefit of incorporating sequence-based functionality would be (1) access to pre-built datasets/parsers (2) training infrastructure (3) integration of sequence and structure

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Research direction

The issue names no files or tests. Start by reviewing the Transform pipeline and how parse or load_any currently load AtomArray inputs, then compare that flow with biotite.sequence. Done means the scope for sequence loading, shared representations, dataset and parser access, training infrastructure, and sequence–structure integration is defined.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
bioinformatics, machine-learning
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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