boltz
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jwohlwend
Official repository for the Boltz biomolecular interaction models
Thanks to the team for making this amazing tool publicly available! As I tested Boltz-1, I noticed that for some cases, the step of "processing input data" could take an...
Hi, I downloaded the raw MSA files you provided using the following commands: ``` wget https://boltz1.s3.us-east-2.amazonaws.com/rcsb_raw_msa.tar tar -xf rcsb_raw_msa.tar rm rcsb_raw_msa.tar ``` After extracting the archive, I noticed that some...
I am trying to fold a protein+RNA structure and while the predict fold is correct in case of the server generated MSAs (screenshot with green ribbons)( ), when I try...
I encountered an error while running boltz predict with the --use_msa_server flag. The error message indicates that an expected MSA file (test_18b28/test_18b28_0.a3m) is missing. Command Executed: `boltz predict test_18b28/test_18b28.fasta --use_msa_server`...
The input data processing step displays a progress bar showing completion up to 100%, which is nice. Would it be possible to add a progress bar for the prediction step...
In cases where several protein chains are included in predictions, it would be helpful for the output JSON file to label the chains ID as they appear in the input...
hi！ When I use your code to process cif files, I get an error. I checked the code, you did not pass in ‘covalents’ when you finally returned it. ...
We ran the boltz prediction using part of the yaml of the docstring in the yaml.py file: ``` sequences: - protein: id: A sequence: "MADQLTEEQIAEFKEAFSLF" - protein: id: [B, C]...
I tested the 0.3.0 with different sequences and GPU. In some cases I see `ran out of memory, skipping batch` issue. Here are the details: Command: ```bash ! boltz predict...
It would be helpful if `boltz predict` would return a nonzero status when it fails with errors like: ``` LOCAL_RANK: 0 - CUDA_VISIBLE_DEVICES: [0] Predicting DataLoader 0: 0%| | 0/1...
