cheminfo / cheminfo/poreprober
Implement accessible volumes
Open
- Dominant language
- JavaScript
- Stars
- 0
- Forks
- 0
- PR merge metrics
- No merged PRs in 30d
Description
Since the implementation of the perculation algorithm is to nasty, I will chose a grid based approach (https://chemrxiv.org/articles/Systematic_Analysis_of_Porosities_in_Metal-Organic_Frameworks/10060331)
Contributor guide
No contributing guide indexed for this repository
Research direction
Start by reviewing the linked ChemRxiv paper and inspecting the repository for existing descriptor or volume-calculation entry points. Determine how the proposed grid-based approach should represent accessible volumes and what output would confirm the implementation is complete.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- javascript
- Domain
- backend
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 30/100