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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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I used spaln to annotated a gene structure in de-nove assembly using a homologous protein, but spaln report error (Segmentation fault (core dumped)). The command as follow
spaln -Q3 -O0 -KP -C1 -M100…
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Hello,
I am new to protein design so this is a noob question , I'll close the issue asap.
I want to predict the complex of a designed monomer (protein 1) and another (protein2) which is an antige…
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**Bug description**
I installed esm using the conda environment
I Folded many proteins using the esm-fold command, however I have found some proteins with physically impossible structure.
**Rep…
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Hi,
Suggestions for new additions:
#### 1. MHCFlurry for perhaps being a potential brick for MHC 1 class proteins binding affinity.
- Repository: https://github.com/openvax/mhcflurry
- Pap…
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Hi,
Thanks a lot for the wonderful work. I noticed that 'covalent modification' is [possible](https://www.chaidiscovery.com/blog/introducing-chai-1#:~:text=covalent%20modifications) to predict usin…
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Until now, we have only used our framework for ChEBI, but in principle, it should also be applicable to other data sets and prediction tasks. One such task is the prediction of protein functions as sp…
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Hi Liza,
I noticed when trying to create a W&B table visualization for the entire dataset that converting the pickle files into pdbs reveals multiple bugs.
Firstly, I got a "UnpicklingError: un…
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####
**Lab Name**: Bioinformatics and Data Science in Biotechnology Lab
**Department**: Biotechnology and Biomedical Engineering
**List of Experiments and Repositories**:
1: Writing and…
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[MurD_generative_modelling_TCS.pdf](https://github.com/opensourceantibiotics/murligase/files/8797342/MurD_generative_modelling_TCS.pdf)
We have designed few molecules against allosteric site of MurD …