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Chemical nomenclature is complex and ambiguous. Any attempt to disambiguate MUST record ambiguity. Thus acetyl-furan could be 1-acetyl-furan or 2-acetyl-furan,
OPSIN (https://opsin.ch.cam.ac.uk) giv…
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### Description of the issue:
As we know, SMILES provides a standardized way to encode the 2D structure of chemical compounds like metabolites in a simple text format. This allows for easier storage,…
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Those of us in the MD community would very much like to be able to take output from QM packages and take it directly into MD engines and chemistry toolkits we use. However, these typically require wha…
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We're parsing the tei xml file and ran into a minor issue. @kermit2 any thoughts?
The `rs` tag on line 9804 seems to have both an `id` and an `xml:id` while the others don't?
```xml
Google Schola…
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This issue is to report that CAM KP does not respond to any of the ICEES KG-derived CURIES in [this sheet](https://docs.google.com/spreadsheets/d/1eao1dNgylcVn21b-Xjdc4JWX7JjulWY8/edit?usp=sharing&oui…
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# Background
New library construction technologies, especially highly multiplexed assays like single-cell RNA-seq, employ a large variety of library molecule configurations. These configurations inse…
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Hi David,
I am trying super-deduper in some very very large datasets (like hundreds of millions reads). The reads have a random barcodes (unique molecule identifiers) in 5' and my goal is to collapse …
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Details for the issue
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#### What did you do?
I try to run [minexample.py](https://drive.google.com/file/d/1MtiwwxbZAC1z-0l001r0LU3uMgEf3Q3z/view?usp=drive_link) script with …
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Recently, I have seen test data with at least three mandatory elements mising:
_nef_nmr_meta_data.format_version
the 'index' columns on restraints and peaks.
and
save_nef_chemical…