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I used the following commands to run DIA-NN and got the above warning:
```
nice -19 /usr/diann/1.8.2_beta_8/linux/diann-1.8.1.8 --threads 32 --mass-acc 15 --mass-acc-ms1 15 --matrices --pg-level 1…
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I noticed you can't use the get_mol() function on pdb files, I was trying to use morgan fingerprint encoding on protein and ligand for an ML application. Wondering if that is possible using RDKIT-JS. …
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We want to see an allosteric conformational change in our complex for a 10 to 15 millisecond time scale frame. We have plans to make the system hybrid. Water and membrane will have a coarse grain, pr…
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hi,when running the example of reverse docking (`python predict.py -l ./reverse/ligand_1.sdf ./reverse/ligand_2.sdf -p ./reverse/receptors -o ./test -np 40 -gpu 0 -cpu 16 -bs 16 -n reverse`), I met an…
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Based on the specs in #256 produce the input for Europe PMC. Keep in mind that this has to be an ongoing process with each data release.
**Dependencies**:
* #256
**Blocker for**:
* #258
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Hi there :
In the benchmark of proteinGym substitutions ,i see three data splitting methods are evaluated separately. Is this substitutions benchmark trained on the single mutation scanning datase…
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~/AutoDock-GPU-develop$ ./bin/autodock_gpu_128wi --ffile ./input/1stp/derived/1stp_protein.maps.fld --filelist ./input/1stp/derived/ligand.txt
AutoDock-GPU version: v1.5-release
Error: Can't open …
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Hi,
is there a way to generate an output with the actual data from PCA in a flatfile format instead of plot only?
Thanks
Michael
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Hello ,
I applied freebayes to my different samples, generated a VCF file, and annotated it.
I would like to know how I can determine **the frequency of each variant per sample.**
this is how my …
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请问protein_protein_interaction中“Multimodal Pre-Training Model for Sequence-based Prediction of Protein-Protein Interaction“这篇论文的代码会在什么时候发布?