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### Summary
We need to implement unit tests for the different components within Ersilia to make sure our pipelines are robust and we are able to push with confidence.
Due to the [work](https://…
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1) Read Research Articles
2) Create Chemical Lists(Industry, Uses chemical structure)
3) Create SMILES
4) Categorize and store data
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The current data preprocessing module only supports SMILES strings as input and generates a limited set of molecular descriptors. Is it possible to expand the module to support other molecular input f…
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Hello, how can I obtain text information for nodes such as BBBP and Bace datasets
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The latest FooDB database has IUPAC, INCHIKEY, INCHI and SMILES equivalent identifiers for chemical compounds. there are no equivalent identifiers for nutrients.
sadly, previous versions of the da…
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Hi, thanks for this cool method! I need to run your method on my data and wanted to test it first. I ran `manual_seml_sweep.py ` with providing `lincs_full_smiles_sciplex_genes.h5ad` as this was what…
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Branching off #23, @shntnu and I are thinking on how to make [jump-compound-annotator](https://github.com/broadinstitute/monorepo/tree/0e53775e3dcf80477a2e49cd6542c638a66d9943/libs/jump_compound_annot…
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Hi Chemformer team,
I am using your Chemformer model for predicting the products of some reactions. However, I am a bit confused that if it's proper for me to use the same model for direct reaction…
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Hi,
It looks like the data for CAS# 16949-15-8 is not correct. As [this](http://www.commonchemistry.org/ChemicalDetail.aspx?ref=16949-15-8) shows, CAS# 16949-15-8 is LiBH4, but I got the following …
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Add chemicals from _Insect Sex Pheromones_ by Martin Jacobson to GlobalChem