deepchem / deepchem/deepchem-gui

Potential UI Improvements

Open
#3 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
JavaScript
Stars
66
Forks
20
PR merge metrics
No merged PRs in 30d

Description

Summarizing an in person discussion. Potential features that it would be useful to add to the UI:

- Export results from the docking as CSV file.
- Display an options tab to control display options.
- Allow users to call into ZINC or Sweetlead so they don't have to process compounds.
- Superpose multiple docked ligands in one binding pocket.
- Align and superpose multiple proteins.

Will add on more as remembered

Contributor guide

No contributing guide indexed for this repository

Research direction

The issue names no files, tests, or entry points. Begin by inspecting the existing UI structure and separating the requested ideas into individual features: CSV export, display options, ZINC or Sweetlead calls, and ligand or protein superposition. Work is only done when one specific feature has an agreed scope and a verifiable result.

Written by the indexing model from the issue text.

Assessment

Tech stack
javascript
Domain
frontend
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
15/100

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