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Once all the .pdb files downloaded and then the post process is run it says "{file path} could not be parsed: Muscle could not be found in the path". Can you please help resolve this issue.
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Hello,
I have been able to successfully generate protein sequences for a custom backbone using `lm_design_esm2_650m` pretrained on the`cath_4.2` dataset. However, when I try the same model pretrain…
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I'm getting the following error. I think it's probably because I'm running two training runs on the same machine which might try to create/delete the temporary file around the same time, so that the o…
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Hi Dr. Huang
Thank you for your great work.
If I want to sample small molecules for a specific pocket of a protein, how should I use the script of sample_for_pdb.py? Currently, sample_for_pdb.py…
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Dear authors,
Congratulations on Uni-Mol! This is truly exciting work 🥇
I'm writing to express interest in running inference outside of the pre-computed datasets. For example:
1.) Running do…
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I am trying to use your instruction to prepare data for training a new classifier.
I have stuck in make_types step because I can't find train.txt and test.txt files.
Moreover, I have 4 questions…
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Hello, I have installed a higher version of pyg due to gpu configuration, but the dataset you provided was processed using pyg==1.6.3, is it possible to provide the code you used to process the data? …
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**Error when running:**
```
asap-ml build-dataset schnet --exp-file ~/ligand_filter_error.json \
--structures '/3c8a_complex.pdb' \
--ds-cache ~/dataset_cache_local.pkl \
--xtal…
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**System information**
- Samsung Galaxy S23 / Android 13 /Snapdragon® 8 Gen 2 | SM8550
- GPUv2 delegate
- TFLite 2.16.1
Assets:
* Model: https://qaihub-public-issues.s3.us-west-2.amazonaws.com…
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Hi,
I'm converting a _pdb_ file to a _gninatype_ file. I have a process similar to the _gninatype_ function in the [link](https://github.com/devalab/DeepPocket/blob/main/types_and_gninatyper.py)
…