microsoft / microsoft/Graphormer
How to convert the molecular graph in SDF/JSON format to the input of graphormer?
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- Dominant language
- Python
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Description
Hello, the graph representation of the drug molecules I downloaded is in SDF format or JSON format. What kind of preprocessing do I need to do with them in order to use them as input to the graphormer?
Looking forward to your reply.
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Research direction
No files, tests, or entry points are named. Start by reviewing the repository's Graphormer input pipeline and determine how molecular graphs from SDF or JSON are represented; done means providing clear preprocessing guidance for those formats.
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Assessment
- Tech stack
- python
- Domain
- data, machine-learning
- Issue type
- Documentation
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100