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Hello,
Thank you for developing such a great tool! I am currently doing protein screening based on the pulldown mode. We have several A100 GPU on a slurm based cluster. However, I just found the in…
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Notice tracel-ai from burn framework, this software must substitute to high performance predictions, like robotics, predict from data lake. Some molecular pretrained models use RoBERTa as base model, …
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Thanks for providing the AF3 source!
To test AlphaFold3 using the example 7BBV provided by AlphaFold3 server, I used the following JSON file as input:
```
{
"name": "7BBV",
"modelSeeds": …
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Hi Luwei!
I am running the test example, apparently without errors. But this single protein is taking too long (over one hour). Also, while I am using a dedicated GPU (RTX-4090), its utilization is…
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I executed the following command in a container created from the provided Dockerfile:
```bash
micromamba run -n diffdock python -m inference --config default_inference_args.yaml --protein_ligand_c…
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i am using dynamicbind package very frequently it is an excellent package and helped me a lot in my work but suddenly it started giving an error `(dynamicbind) kinshuk@kinshuk-lab:~/Desktop/Anupam/Dyn…
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Thank you for providing an example showing how to run DiffDock-PP inference with PDB files. I was able to run the example you provided, but I'm confused by the output. The pdb files generated by th…
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I added in the Blast fix from #31 which fixed the ss_residue error and now when I try any of the examples it seems the atab file isn't being generated/saved correctly?
My call is here:
HYDRA_FULL_…
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Dear Vadim,
I analysed thermo raw files with DIA-NN 1.8.1 and 1.9. I matched the generated pg_matrix and pr_matrix to find the number of proteotypic peptides for each reported protein in the pg_matri…
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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
…