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**Is your feature request related to a problem? Please describe.**
Protein-ligand interactions may be complemented by interactions of the ligand with another ligand, which is located at the same bind…
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Hi,
thank you for sharing your script of doing protein docking.
I am currently working with protein-protein interaction, and am trying to use your codes on my alphafold3 predicted structure.
Ho…
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Hi there
Can explain what --pharma option does? I find --template option will bias docking toward pharmacophore defined in ph4 file. But I cannot find how --pharma option work. Any example can als…
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**Describe the bug**
I am trying to run CellChat and I am getting a AttributeError: 'SparseCSRView' object has no attribute 'A'.
**To Reproduce**
Here is the code to call the method. The "adata…
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## 🐛 Bug
This sample has many bugs, if you just try to run it, I want to propose the following fixes:
## To Reproduce
Steps to reproduce the behavior:
1. just try to run it and many exceptio…
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## 🐛 Bug
**12 cell:**
%%time
max_epochs = 50
metric = dc.metrics.Metric(dc.metrics.score_function.rms_score)
step_cutoff = len(train)//12
def val_cb(model, step):
if step%step_cutoff!=0…
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Based on the current experimental data as shown on the table, substituting the oxetane to cyclopropane leads to no binding at all. However, by substituting the chlorine with trifluoromethyl group …
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Hi. I have a receptor-ligand complex and I'm trying to generate plots to visualize the various types of interactions between the receptor and ligand proteins. The complex has 166 residues in total wit…
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### In which tool?
gmx_MMPBSA
### New Feature
It would be nice to be able to suppress the ligand-ligand and receptor-receptor interactions displayed in the decomposition when done pairwise. I'm try…
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Dear Omnipath team,
I would like to know if it is currently possible to access all data in Omnipath using the Cytoscape plugin?
Or will it miss certain interactions when compared to OmnipathR and py…