NVIDIA-BioNeMo / NVIDIA-BioNeMo/Proteina-Complexa

Missing complexa_cat.ckpt for fold class conditioned binder generation

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Python
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Description

Hello,

Thank you for sharing this awesome software. We are trying to do fold class conditioned binder generation based on CATHcodes, and from my understanding we need to use a model trained with the CATH fold conditioning configuration. In the training guide readme, it says one of the available pretrained models is complexa_cat.ckpt, but is unavailable via complexa download. https://github.com/NVIDIA-Digital-Bio/Proteina-Complexa/blob/5ae24b055d828918296f2aad63616b1f4cc0e491/docs/TRAINING.md#available-pretrained-checkpoints

Would it be possible to add this model?

Thank you!

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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 with the available pretrained checkpoints section in docs/TRAINING.md and the complexa download workflow. Check how the other listed checkpoints are made available and determine where complexa_cat.ckpt should be added. Done means the checkpoint can be obtained through complexa download and the training guide accurately lists it.

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Assessment

Tech stack
python
Domain
machine-learning
Issue type
Feature
Difficulty
3/5
Estimated time
1-2 days
Activity status
Quiet
Clarity
Mostly clear
Newbie friendliness
52/100

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