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calculate stability and melting temperature from protein sequence #2

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avilella opened this issue May 20, 2022 · 5 comments
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@avilella
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avilella commented May 20, 2022

I am reading the biorxiv preprint and I understand I could use the CARP models to predict/calculate stability and melting temperature from a query protein sequence? Would it be possible to have a utils script to do that from this codebase?

In Facebook's ESM, for example, there is a likelihood score calculator script that does something of the like:

esm/examples/inverse_folding/score_log_likelihoods.py ./examples/inverse_folding/data/5YH2.pdb     ./examples/inverse_folding/data/5YH2_mutated_seqs.fasta --chain C    --outpath output/5YH2_mutated_seqs_scores.csv

Would it be possible to have an equivalent for CARP? Thanks in advance.

@yangkky
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yangkky commented May 20, 2022

It looks like you want a script for zero-shot mutation effect prediction?

@avilella
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That may be it. Is there a difference between melting temperature (Table 5.4.3) or protein fitness (Table 5.4.2 or Figure 3)? Or are both called from the same function with the same parameters? It would be great to have an example of both if different. Thanks in advance.

@yangkky
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yangkky commented May 23, 2022 via email

@avilella
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The CARP preprint? Maybe I am in the wrong repo...
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@yangkky
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yangkky commented May 23, 2022 via email

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