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Hi, I have a question about the code. After predicting the interaction between a protein and its substrate, can it determine whether the protein catalyzes the substrate? Thanks!
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Until now, we have only used our framework for ChEBI, but in principle, it should also be applicable to other data sets and prediction tasks. One such task is the prediction of protein functions as sp…
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This software is very impressive!
Is it possible to add a feature for direct upload of PDB files or ligand sdf/mol2 files for protein-ligand binding prediction or protein-proterin binding prediction…
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Hi,
First of all, thank you for such wonderful tool. I'm working with proteins translated from new ORFs and I predicted that the new protein interact with another protein, say for e.g. protein X. N…
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Thank you very much for your excellent work. Regarding "substitution DMS", I noticed that the dataset you provided contains a total of 217 groups of proteins, but in some work it was mentioned that us…
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Hello,
I'm encountering a TypeError when running the prediction.py script. Specifically, the error occurs at the line:
```python
results = esm_model(batch_tokens, repr_layers=[33], return_contact…
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Dear Chai Discovery Team,
First of all, I want to express my gratitude for making the Chai-1 codebase open-source and accessible to the community. Your work is truly invaluable and has great potent…
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Thank you for developing chai-lab, which is an amazing tool and has greatly assisted my work. However, when I try to input the trivalent iron ion in the ligand part locally using chai_lab with the com…
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Hi all
I'm interested in generating contact maps from the ESM2 attention heads as described in the following github notebook:
https://github.com/facebookresearch/esm/blob/main/examples/contact_predi…
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Hi,
Is there a way (or a flag) for having multiple PDB structures predicted for protein-protein complex with small molecule? The default is only one outout PDB given.
mtahe updated
4 months ago