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Hi, I'm trying to build a server to store and retrieve compounds in my lab with MongoDB and python.
MongoDB can store a lot of data and behave well if used ***correctly*** .
Now I can search com…
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I tried every possible advise to install it on Mac-Os mojave but all unfortunately not working and always getting check the console for possible error messages.
thanks in advance
MAZ
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As I understand it, @hjuinj is making fairly good progress towards an RDKit implementation (see #69 ) , in that his prototype RDKit version can give identical parameter assignments for the majority of…
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# Proposed feature
In the index.html file add text which will be shown as title page.
Department of Bioinformatics
Bio- and cheminformatics facility
Institute of Biochemistry and Biophysics…
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Similar to Yank - it would be great if it's possible to run using RDKit and not OEChem - and I think that should be possible - but looks like it would take a fair bit of refactoring to carry out.
I…
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Hello,
I am about to wrap up the Debian package for your 1.0.1 release (plus the SOVERSION patch). This package will migrate to Ubuntu and other derivatives of Debian, too, so there are some folks …
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# Proposed change
All the sub-pages should be in English. Files to convert:
- [x] ```index.html```
- [x] ```services.md```
- [x] ```people.md```
dizak updated
6 years ago
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Hi,
I observed a strange bug in the way CDK (and many other toolkits like RDkit or OpenBabel) parse molecules containing the substructure R-N-C=O. In many cases, the substructure is changed to R-N=C-…
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Use this query:
SELECT ?work ?work_label (COUNT(?citing_work) AS ?count) WHERE {
?work wdt:P1433 wd:Q6294930.
?citing_work wdt:P2860 ?work.
?work rdfs:label ?work_label.
…
egonw updated
6 years ago
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# Proposed change
We spoke about changing the site's title to something else than a copy of our organisation. What should be the name then?
dizak updated
6 years ago