microsoft / microsoft/Graphormer

[Feature Request] Pre-trained Graphormer v2.0 model for OGBG-MolPCBA

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enhancement
Dominant language
Python
Stars
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Forks
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PR merge metrics
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Description

Summary

The architecture design has minor changes between Graphormer v1.0 and v2.0, leading to the requirement of new hyper-parameter configurations of pre-trained model for ogbg-molpcba.

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by comparing the Graphormer v1.0 and v2.0 architecture requirements for the OGBG-MolPCBA pre-trained model. Identify the hyper-parameter configurations that changed and verify the updated configuration supports the requested model; the payload does not name specific files or tests.

Written by the indexing model from the issue text.

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
25/100

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