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Here's the **Weekly Digest** for [*njzjz/analytical-chemistry-bank*](https://github.com/njzjz/analytical-chemistry-bank):
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# ISSUES
Last week 5 issues were created.
Of these, 4 issues have bee…
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Here's the **Weekly Digest** for [*njzjz/analytical-chemistry-bank*](https://github.com/njzjz/analytical-chemistry-bank):
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# ISSUES
Last week 10 issues were created.
Of these, 10 issues have b…
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Hello!
Can you tell me please is there a simple way to split molecules in IAtomContainers if .MOL file contains several molecules?
[1.MOL.txt](https://github.com/cdk/cdk/files/3701919/1.MOL.txt)
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Hi folks, I had been using `IsoSpecPy` in my python mass spec project and haven't run the test in a little while. It looks like you've changed the imports without including documentation on how I shou…
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Please consider adding Integrated Probabilistic Annotation (IPA) - A Bayesian annotation method for LC/MS data integrating biochemical relations, isotope patterns and adduct formation
Reference htt…
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When two lines have the same "title" AND "year" AND "authors" keep only one (the first? the most complete?)
Below the three key in ISI and SCOPUS:
- title --> ISI = TI / Scopus = Title
- year -->…
tommv updated
4 years ago
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I changed the server site /modules/api/city/views.py
This api call
wiki_api_url = "https://en.wikipedia.org/w/api.php" +
"?action=query&prop=extracts&explaintext&titles=" +
city.city_name +
"&f…
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The title pretty much sums up the issue. I would like to use mechanisms that include non-integer coefficients, however coefficients are hard-coded as integers throughout. This is true in both the pick…
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Hello!
Previously we tried to use BAGEL for the CASPT2 transition state and had a problem. Now I tried to use the CASSCF hessian calculation and have a problem, too. The input file is attached.
I c…
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**Submitting author:** @WyLyu (WenYang Lyu)
**Repository:** https://github.com/WyLyu/UPOsHam
**Version:** v0.1.0
**Editor:** @kthyng
**Reviewer:** @dpsanders, @JoshKarpel
**Archive:** 10.5281/zenodo.3…