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The widget has to be added in the following places:
- [ ] Predicted pockets widget in the Target prioritisation factors view for disease
- [ ] A new widget in the target profile page
The requir…
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Hi,
Is it possible to fine-tune or re-train the ESM-3 model with the protein sequence and structure or pdb file, and then apply the fine-tuned model to generate sequence or structure embeddings?
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Hi there,
I can't seem to find any examples that show how to create template features. We are trying to dock two proteins, one of which has an experimentally determined structure. The default inferen…
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I tried to predict two RNA strands with cas9 (PDB ID: 4OO8).
However, RNA structures were crashed like fragment of skein.
Not only for this, but also same RNA structure were simulated without protei…
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Could you also share an example of generation by secondary structure, that is shown in 4.3.3 CONTROLLABLE GENERATION: SECONDARY STRUCTURE GUIDED PROTEIN SAMPLING part of your state. Thank you in advan…
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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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when I run tokenize_pdb.py, I met this
Traceback (most recent call last):
File "/app/scripts/tokenize_pdb.py", line 108, in
main(
File "/app/scripts/tokenize_pdb.py", line 64, in main
…
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In setting up a variety of systems for simulation I came across one with a thioether bond (something I haven't encountered before in a protein I'm trying to simulate). The PDB structure is https://www…
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**The problem**
Gene info, including PDB ids comes from https://mygene.info. But for some genes PDB has multiple ids. I.e. for STAT3 mygene.info returns:
[5AX3](https://www.rcsb.org/structure/5AX3) …
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### Bug summary
[gmx_MMPBSA does not support water/ions molecules in any structure, but we found 2 molecules in the complex]
I want to calculate the binding free energy between a metalloprotein an…