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- MDFP (https://pubs.acs.org/doi/10.1021/acs.jcim.6b00778), a package for extracting features from molecular dynamics trajectories, which can be used for machine learning applications.
- LigGrep (htt…
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This will prevent the API from maxing out the server's resources by trying to load large amounts of data into memory at once. At present, the maximum limit will be set to 10,000. If this becomes an is…
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Hello,
I'm attempting to run ```cellphonedb database generate``` using my own user curated interactions however I'm encountering the following error:
```Traceback (most recent call last):
Fil…
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Following on from the [2019-06-11 annotation conference call](http://wiki.geneontology.org/index.php/Annotation_Conf._Call_2019-06-11), we are asking groups to review their annotations to GO:0032459 '…
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I suggest a reorganization of the categories to sort out current overlaps and redundancies and make icons easy to find.
After looking through the different categories I came up with the following b…
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We need to pull a series of data to inform which genes to look for variants in.
There is a google doc here for reference,
https://docs.google.com/spreadsheets/d/1yX-5sfrC3vrahf4_k7-5rl4Oqzm853ol…
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Currently we have a complicated route to including the particle and nonbonded definitions into `martini_v3.0.0.itp` when the go model is used. Given these are flexibly included, and the go model is no…
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After checking with _real_ structural biologist:
```add_cation_pi_interactions_```: Phenylalanine ring is a bit negatively charged; interacting with slight positive charge of amine group of Lysine …
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Hello @twopin,
Is it possible to have a clear protocol on how to interpret the results? which files should we look at? How to open the files and the significance of each value?
And once this is do…
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Following on from the [2019-06-11 annotation conference call](http://wiki.geneontology.org/index.php/Annotation_Conf._Call_2019-06-11), we are asking groups to review their annotations to GO:0051259 '…