microsoft / microsoft/Graphormer
Missing training scripts for proteins and protein-ligands
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- Dominant language
- Python
- Stars
- 2.5k
- Forks
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Description
Hi,
I noticed that there are only training scripts for property-guided and adsorbate-catalyst but no scripts for training the protein and the protein-ligand model. Would you please kindly fix the issue? Thanks a lot!
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
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Research direction
Start by comparing the existing training scripts for property-guided and adsorbate-catalyst models, then trace how the protein and protein-ligand models are configured and invoked. Done means the repository includes usable training scripts for both model types, with their expected arguments and data paths documented or evident from the existing scripts.
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Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100