microsoft / microsoft/Graphormer
Interpolation between states
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- Dominant language
- Python
- Stars
- 2.5k
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Description
Is there an implementation for the method described in the section "Interpolation between states" of the paper? I'd be interested to use this kind of interpolation as a starting point for calculating transition paths, but don't see an obvious way to do it in the code.
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First steps
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Research direction
The issue names no file, test, or entry point. Start by comparing the paper's “Interpolation between states” section with the repository's existing graph and molecular-modeling code, then determine where such functionality would belong. Done would require a decided implementation scope and a way to use the interpolation for transition-path calculations.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100