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wolverton-research-group
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qmpy
A suite of computational materials science tools.
https://oqmd.org
MIT License
129
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sync_resources() causes NameError
#148
shkwon-git
opened
1 month ago
0
Bump django from 2.2.24 to 3.2.25
#147
dependabot[bot]
opened
7 months ago
0
Bump django from 2.2.24 to 3.2.24
#146
dependabot[bot]
closed
7 months ago
1
v1 phonon-related functionalities
#145
hegdevinayi
closed
1 year ago
1
The example "get_formations.py" run into error of "no compute_formation()"
#144
aijcode
opened
2 years ago
0
OPTIMADE API IDs do not match OQMD IDs
#143
ml-evs
opened
2 years ago
0
Fix documentation link in README
#142
dgaines2
closed
2 years ago
0
PhaseData's `read_file` function relies on old version of `fractions`
#141
jayspendlove
opened
2 years ago
1
Bump django from 2.2.24 to 2.2.28
#140
dependabot[bot]
closed
9 months ago
1
Bump django from 2.2.24 to 2.2.27
#138
dependabot[bot]
closed
2 years ago
1
PR for new qmpy version V1.5 - last upgrade before cloud transitioning
#137
tachyontraveler
opened
2 years ago
1
Bug when parsing element_set
#136
joabro
opened
2 years ago
1
OPTIMADE-related fix (chemical_formula_anonymous vs generic)
#135
tachyontraveler
closed
2 years ago
0
Reverse anonymous chemical formulae for OPTIMADE ('ABCD4' -> 'A4BCD')
#134
ml-evs
closed
2 years ago
5
Fix/optimade to production
#133
tachyontraveler
closed
3 years ago
0
More from Fix/optimade to Master
#132
tachyontraveler
closed
3 years ago
0
Fix/optimade to Master
#131
tachyontraveler
closed
3 years ago
0
Fix/optimade to Production
#130
tachyontraveler
closed
3 years ago
0
Fixes for OPTIMADE structures and info
#129
ml-evs
closed
3 years ago
2
[OPTIMADE API] Several validation issues reported by the OPTIMADE provider dashboard
#128
ml-evs
closed
2 years ago
15
Add radioactive elements to data/elements/groups.yaml
#127
dgaines2
closed
2 years ago
3
How to save the structure of materials into .cif file?
#126
kdmsit
opened
3 years ago
1
Bump django from 2.2.15 to 2.2.24
#125
dependabot[bot]
closed
3 years ago
1
Bump django from 2.2.15 to 2.2.22
#124
dependabot[bot]
closed
3 years ago
1
Bump django from 2.2.15 to 2.2.21
#123
dependabot[bot]
closed
3 years ago
1
[request] code snippet to retrieve files/data from local database
#122
ezpzbz
closed
3 years ago
6
cannot run oqmd (django ImportError)
#121
LuciusV
opened
3 years ago
2
Bump django from 2.2.15 to 2.2.20
#120
dependabot[bot]
closed
3 years ago
1
Bump django from 2.2.15 to 2.2.18
#119
dependabot[bot]
closed
3 years ago
1
Production: FAIR data related
#118
tachyontraveler
closed
3 years ago
0
Master: FAIR data related
#117
tachyontraveler
closed
3 years ago
1
[OPTIMADE API] meta->data_available and meta->data_returned provide incorrect values
#116
ml-evs
closed
3 years ago
2
[OPTIMADE API] Non-paginated endpoints are not OPTIMADE compliant
#115
ml-evs
closed
3 years ago
3
Comparison to NaN.
#114
hodovani
closed
3 years ago
2
Better package resource discovery
#113
tachyontraveler
opened
3 years ago
0
Upgrade/optimade v1.0 on master branch
#112
tachyontraveler
closed
3 years ago
1
Support for OPTiMaDe to v1.0.0 and improved structured-data specifications
#111
tachyontraveler
closed
3 years ago
4
Hotfix/duplicated atoms
#110
tachyontraveler
closed
3 years ago
1
fixed typo in metadata name
#109
bbadass
opened
3 years ago
0
Having issues connecting to sql database
#108
zjensen262
closed
3 years ago
1
Pulling changes made from Larue
#107
tachyontraveler
closed
4 years ago
0
Pulling recent changes made in Larue
#106
tachyontraveler
closed
4 years ago
0
changes in docs, changelog and Version specs - from qmpy 1.4 release
#105
tachyontraveler
closed
4 years ago
0
Finalizing the new version 1.4
#104
tachyontraveler
closed
4 years ago
0
Changes from Master branch made for Py3 upgrade
#103
tachyontraveler
closed
4 years ago
2
Pulling changes pushed only at Upgrade/master
#102
tachyontraveler
closed
4 years ago
0
Pulling changes
#101
tachyontraveler
closed
4 years ago
0
Minor Dependency upgrade changes missed in earlier PR
#100
tachyontraveler
closed
4 years ago
0
Bump django from 2.2 to 2.2.13
#99
dependabot[bot]
closed
4 years ago
1
addition of kpar and minor change to reduce function
#98
bbadass
closed
4 years ago
1
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