microsoft / microsoft/Graphormer

DiG protein explanation

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Dominant language
Python
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Description

Hi team,

First of all thank you for making this wonderful program public. I was testing out the program today for the protein part of DiG and followed with 1 of the 6 provided examples. I have two questions:

  1. How to use the output: it has two .npz files one for init and one for final. What should I do with them.
  2. I want to use the program for a pdb that is not in the provided dataset. How would I go with generating the input .pkl files?

It would be really helpful for us biologists if you could give a short tutorial on how to use the program!

Please have a great week!

Best

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  3. Fork the repository and make your change on a branch.
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Research direction

Review the six provided DiG protein examples and the workflow that produces the init and final .npz files. Document how users should use those outputs and how to generate the input .pkl files for a PDB outside the provided dataset; completion means a short tutorial answers both questions.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
documentation, machine-learning
Issue type
Documentation
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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