OpenFreeEnergy / OpenFreeEnergy/openfe_analysis

Visual inspection

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Dominant language
Python
Stars
20
Forks
2
PR merge metrics
No merged PRs in 30d

Description

Type
System sampling check
Question
How does the thing look?
How?
gif of simulation/some other easy video format
Tool
image magick?
Note
Med chemists like this
Details
Could be embeddable HTML of single frame

Contributor guide

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First steps

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  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

No file, test, or entry point is named. Start by clarifying what simulation output should be inspected, whether GIF or another video format is required, and whether the result should be embeddable HTML; done should be defined as a documented, usable visual-inspection workflow for medicinal chemists.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
data-visualization
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
20/100

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