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Write unit tests in `tests/test_services` for the `PubChem` class in `pura/services/pubchem.py`. Here are some name and SMILES pairs that you can use as examples:
```
"Josiphos SL-J001-1", "CC(C1C…
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we need to document where chemical properties come from (experimental vs predicted) and also an old jira :
from egon:
Viagra's properties (H bond donor/acceptor, Rot Bond count) do not match the depi…
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MolSysMT has to give a name to proteins, small molecules, and entities. These names can be extracted from an mmtf file, but what happens with other forms? We probably need to implement in Sabueso the …
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Available at http://ops.rsc.org/download/RDF-2015.10.09.zip or as separate resources from http://ops.rsc.org/download/20151009/void_2015-10-09.ttl by following `void:dataDump`.
TODO: Modify this buil…
stain updated
9 years ago
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broken in production (1.3) right now.
[nb some discussion on https://github.com/openphacts/GLOBAL/issues/14]
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Hi,
in the record format, it is not clearly specified how to handle potential multiple entries for one `CH$LINK: DATABASE`, e.g. a link to multiple CAS numbers. Can they be added as multiple entrie…
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Run the getInfo.R from
https://github.com/MassBank/MassBankAdministrationScripts/tree/master/R%20projects/MBrecordToFile
as regular cron job. Output the result under some static *.CSV URL, e.g.
http…
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I have successfully installed elabchem on a Ubuntu server. Everything is working except updates and database searching. It seems it has a problem connecting to the internet.
I do not use a proxy serv…
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Greetings,
I have the following error from Validator, which I do not understand:
```
Jewell@r:~/MassBankEurope/MassBank-data$ ./.scripts/validate.sh BfG_Koblenz/
Validator version: 2.1.8
07:12:39…
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As noted in [its homepage](http://www.molinspiration.com/jme/), JME is deprecated. Unfortunately, the proposed replacement, [JSME](http://peter-ertl.com/jsme/), does not seem to be readily interfaced …
tpfto updated
5 years ago