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Dear author,
I try to use the command mentioned in the readme `python scripts/sample.py --outdir ./outputs --config ./configs/sample/sample_MolDiff.yml --batch_size 32 --pocket_dir ./data/crossdock…
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Dear developers,
Thank you for this great tool suit, very helpful.
I have a question regarding adding external models of L-R. how would it be possible to specify a manually selected L-R to chec…
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interested in trying out SMEditor to see if it suits my needs. So far, am very impressed with its customization options
been setting up the desktop app version the way i like it, but there are a fe…
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Could you please provide me with this paper? Because my school does not have permission to read this article. In addition, the human_receptors.csv file contains Topology. Is this necessary? Is it okay…
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MSID: 100937
Version: 1
Preprint DOI: https://doi.org/10.1101/2024.07.11.603063
## Step 1. Awaiting reviews
**Editorial to post reviews via hypothesis**
**Useful links:**
- DocMap: https://data-h…
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**Is your feature request related to a problem? Please describe.**
There is not error for unused dictionary items when using SetStatus for multiple compartments and or receptors at the same time. How…
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When I execute [`02-generate-poses.py`](https://github.com/FoldingAtHome/covid-moonshot/blob/sprint-5/synthetic-enumeration/sprint-5-retrospective/02-generate-poses.py) on branch `sprint-5` under `spr…
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Hi authors, I have an issue using the `stratify` functions in `ExampleProvider`.
I tried two ways :
1. `train_samples = molgrid.ExampleProvider(ligmolcache=args.trligte, recmolcache=args.trrecte…
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### Is your feature request related to a problem?
It is not possible to add signal receptors to classes in a Class diagram.
### Describe the solution you'd like
Support signal receptors, as d…
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Dears,
First, thanks a lot for this wonderful package that helps me to analyse and understand more about my scRNA data.
I have a question regarding the CellChatDB, it contains an interaction table t…