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**Aim:**
This issue addresses how to apply LigGrep to filter through docked ligand poses to check that they retain key interactions with the protein that are observed in crystallographic fragment-p…
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**Need a tool to read and import annotations created in CellML to Python!**
To identify the variables created by CellML users, annotations are required to be read and understood.
Based on the defi…
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This issue contains monthly updates to the ranked list of PubMed papers for curation. The full list can be found [here](https://github.com/tanayshah2/bioregistry/blob/5560dcf284f2c0309287e0a5a551e435e…
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## 🚀 Feature
Addition of the DUD-E, a database of useful decoys, to DeepChem repository.
http://dude.docking.org
Paper: https://pubs.acs.org/doi/abs/10.1021/jm300687e
## Motivation
A dat…
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Hi,
I have a group of 16 compounds I am interested in performing some basic unbiased clustering analysis on to better understand if they sub-group in any stand-out way in terms of chemical or struc…
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Here we describe the process of creating a **[DictionaryName]DictionaryDescription.md** document, within which we will describe the contents of the individual dictionary (named in the title of this Is…
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**Summary !!!**
- **BioModel Name**: Stokes2020 - Antibiotics discovery using deep learning approach.
- **BioModel Tag**: fair AIML, Machine learning model, Ersilia
- **Metadata Comments**:
…
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In GitLab by @AKM2022on Sep 27, 2018, 11:29
I Just tried this database and found some issues. The search pattern of chemical name is case sensitive, for example it's not displaying anything if I type…
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Currently `get_wdid()` searches more than just chemicals:
```
get_wdid("Horse", verbose = FALSE)
id match distance query
1 Q869595 Horse 0 Horse
```
This might be a problem for so…
Aariq updated
3 years ago
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I've started to compile on the [wiki ](https://github.com/OpenSourceTB/OSTB_Series_3/wiki/The-Surrounding-Chemical-Space) an overview of compounds which are structurally related to _OSTB Series 3_. I …