moltools / moltools/RetroMol-GUI

Move fingerprint calculation logic to BioNexus package

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enhancement
Dominant language
TypeScript
Stars
1
Forks
0
PR merge metrics
No merged PRs in 30d

Description

Move the logic currently in the backend for calculating fingerprints to the BioNexus package. In that way we ensure that fingerprints in the database are calculated in the same way as fingerprints calculated on the sport for imports.

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by locating the backend fingerprint-calculation logic and the BioNexus package entry point. Compare how database fingerprints and import fingerprints are produced; done means the calculation is owned by BioNexus and both paths use the same logic.

Written by the indexing model from the issue text.

Assessment

Tech stack
typescript
Domain
backend
Issue type
Refactor
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
45/100

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