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This is a set of issues around running 100k+ simulations with RASPA, and stems mainly from its memory leaks. Currently, RASPA leaks a _lot_ of memory, which builds up over many simulations. The "solut…
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**Summary !!!**
- **BioModel Name**: Rahman2022 - High throughput antibacterial screening with machine learning.
- **BioModel Tag**: fair AIML, Machine learning model
- **Metadata Comments**…
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Revise cheat sheet content:
- [ ] [biobanks.md](https://github.com/elixir-oslo/biomeddata/blob/main/pages/cheat_sheets/biobanks.md)
- [ ] [biodiversity.md](https://github.com/elixir-oslo/biomeddat…
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"EPA’s Aggregated Computational Toxicology Online Resource (ACToR) aggregates data from thousands of public sources on over 500,000 chemicals. It is searchable by chemical name and other identifiers. …
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# Description
Some desired metadata attributes are a little unclear in the context of napari, and even in the context of OME-NGFF
- scenes/number
- experiment-id
The goal of this task is to clarify…
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Hi all (@edwintse @TomkUCL) we need another **Nsp13 biophysical assay** for the compounds we're making. We know of fragment soaking at Diamond, though currently the throughput is quite low. We know of…
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I was thinking about including a new field in every of our data api responses called "auditTrail" or something like this. It would be an array of json objects that would at a minimum contain a timesta…
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```
{
"title": "Aggregated Computational Toxicology Online Resource",
"notes": "This resource is a link to the ACToR (Aggregated Computational Toxicology Online Resource) website by EPA, where da…
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Both studies (cited below) that describe the development of high-throughput XANES workflows state that the 'RPA' method was chosen for screening of the core-hole potential. However `MPXANESSet.yaml` u…
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**Background:** To address the need for new antibiotics, we have taken a fragment-based approach to discover hits against the Mur family of ligases, a target class which has been [validated ](https://…