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pr-omethe-us
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PyKED
Python interface to the ChemKED database format
https://pr-omethe-us.github.io/PyKED/
BSD 3-Clause "New" or "Revised" License
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file-version should be an integer
#31
bryanwweber
closed
7 years ago
0
Add uncertainty
#30
bryanwweber
closed
7 years ago
3
:white_check_mark: Test version number is semantic
#29
bryanwweber
closed
7 years ago
2
Add mass fraction
#28
bryanwweber
closed
7 years ago
10
Update cerberus
#27
bryanwweber
closed
7 years ago
3
Add eq ratio to dataframe
#26
bryanwweber
closed
7 years ago
2
Added better author validation and tests
#25
kyleniemeyer
closed
7 years ago
2
Requests package outputs a bunch of info messages when loading files
#24
bryanwweber
closed
7 years ago
1
Validate InChI et al. with an online database
#23
bryanwweber
opened
7 years ago
5
Add support for version comparisons with database format
#22
kyleniemeyer
opened
7 years ago
2
Add a way to express uncertainty
#21
bryanwweber
closed
7 years ago
5
Rename package
#20
kyleniemeyer
closed
8 years ago
1
changed license to BSD 3-clause license
#19
kyleniemeyer
closed
8 years ago
1
Create contributing doc
#18
kyleniemeyer
closed
8 years ago
3
Write Sphinx-based documentation
#17
kyleniemeyer
closed
7 years ago
0
Get a DataFrame as output
#16
bryanwweber
closed
8 years ago
3
Rename package to PyKED
#15
kyleniemeyer
closed
8 years ago
0
Create a ChemKED development roadmap
#14
kyleniemeyer
closed
8 years ago
1
Add tests for incompatible units and quantities
#13
bryanwweber
closed
8 years ago
4
Author validation from DOI should be more stringent than last name
#12
bryanwweber
closed
7 years ago
1
Author validation should check for extra authors from YAML
#11
bryanwweber
closed
7 years ago
0
Should we ignore ORCID provided with CrossRef DOI?
#10
bryanwweber
opened
8 years ago
3
Allow handling of DataCite (e.g.) DOIs in addition to Crossref
#9
kyleniemeyer
opened
8 years ago
1
Decide how to handle species with fractional elemental representations and no InChI etc.
#8
bryanwweber
closed
7 years ago
8
Fix schema requirements
#7
bryanwweber
closed
8 years ago
1
Add convenience input/output functions
#6
bryanwweber
opened
8 years ago
2
Add chemked class
#5
bryanwweber
closed
8 years ago
0
Added DOI/ORCID validator
#4
kyleniemeyer
closed
8 years ago
2
We should prefer ruamel.yaml over PyYAML
#3
bryanwweber
closed
8 years ago
2
Allow specifying mass fraction for composition (needs Cerberus 1.0 release)
#2
kyleniemeyer
closed
7 years ago
2
Add chemked class
#1
bryanwweber
closed
8 years ago
0
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