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materialsproject
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emmet
Be a master builder of databases of material properties. Avoid the Kragle.
https://materialsproject.github.io/emmet/
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[Feature Request]: PEP 625 Compatibility
#1148
shyamd
opened
21 hours ago
0
Bump codecov/codecov-action from 4.6.0 to 5.0.7
#1147
dependabot[bot]
opened
3 days ago
0
Fix serialization issue in XASDoc
#1146
esoteric-ephemera
opened
6 days ago
1
expand run type check to include r2SCAN entries
#1145
tsmathis
closed
1 week ago
1
Bump codecov/codecov-action from 4.6.0 to 5.0.2
#1144
dependabot[bot]
closed
3 days ago
2
Automated dependency upgrades
#1143
tschaume
opened
1 week ago
1
Automated dependency upgrades
#1142
tschaume
closed
2 weeks ago
1
update pymatgen dependency
#1141
yang-ruoxi
closed
3 weeks ago
1
Automated dependency upgrades
#1140
tschaume
closed
3 weeks ago
1
Automated dependency upgrades
#1139
tschaume
closed
1 month ago
1
Automated dependency upgrades
#1138
tschaume
closed
1 month ago
1
Bump starlette from 0.36.3 to 0.40.0 in /emmet-builders/requirements in the pip group across 1 directory
#1137
dependabot[bot]
opened
1 month ago
0
Automated dependency upgrades
#1136
tschaume
closed
1 month ago
1
[WIP] Builders for solvent and electrolyte classical molecular dynamics runs
#1135
orionarcher
opened
1 month ago
1
Automated dependency upgrades
#1134
tschaume
closed
1 month ago
1
Bump the pip group across 2 directories with 1 update
#1133
dependabot[bot]
opened
1 month ago
1
Automated dependency upgrades
#1132
tschaume
closed
1 month ago
1
Bump the pip group across 2 directories with 1 update
#1131
dependabot[bot]
closed
1 month ago
1
Automated dependency upgrades
#1130
tschaume
closed
1 month ago
1
Run CI enum generation on forks outside MP
#1129
esoteric-ephemera
closed
1 month ago
1
Fix TaskDoc.task_type
#1128
esoteric-ephemera
closed
1 month ago
0
Fix task type for NSCF line TaskDoc's
#1127
esoteric-ephemera
closed
1 month ago
0
Allow `OxidationStateDoc` to skip assignment if oxidation states are already assigned
#1126
mkhorton
opened
1 month ago
0
Bump codecov/codecov-action from 4.5.0 to 4.6.0
#1125
dependabot[bot]
closed
1 month ago
0
Fix for MaterialsBuilder when `TaskDoc.tags` is `None`
#1124
mkhorton
closed
1 month ago
0
Add NEB schemas
#1123
esoteric-ephemera
opened
1 month ago
1
Replace relocated `GrainBoundary` import
#1122
DanielYang59
closed
1 month ago
2
Remove deprecated Extra.allow from document models
#1121
tsmathis
closed
1 month ago
1
Automated dependency upgrades
#1120
tschaume
closed
1 month ago
1
`pydantic.config.Extra` is deprecated, use literal values instead (e.g. `extra='allow'`)
#1119
DanielYang59
closed
1 month ago
2
Improve error handling in `SymmetryData`
#1118
mkhorton
closed
1 month ago
6
update elasticity builder asserts
#1117
tsmathis
closed
2 months ago
1
add completed_at field (+run_stats) to TaskDoc as root fields
#1116
tsmathis
closed
2 months ago
9
Automated dependency upgrades
#1115
tschaume
closed
2 months ago
1
Automated dependency upgrades
#1114
tschaume
closed
2 months ago
1
Automated dependency upgrades
#1113
tschaume
closed
2 months ago
0
update "R2SCAN" to "r2SCAN" to match enum convention
#1112
tsmathis
closed
2 months ago
1
Automated dependency upgrades
#1111
tschaume
closed
2 months ago
1
Change name of interchange_meta -> mol_specs and add structure to MDTaskDocument
#1110
orionarcher
closed
2 months ago
3
Automated dependency upgrades
#1109
tschaume
closed
2 months ago
1
make calc type enums IgnoreCase
#1108
tsmathis
closed
2 months ago
0
Automated dependency upgrades
#1107
tschaume
closed
2 months ago
1
Reverting MPCules PR #926
#1106
tschaume
closed
2 months ago
1
Feat: Add run types for GW calculations
#1105
yanghan234
closed
1 month ago
8
Update enums actions
#1104
tsmathis
closed
2 months ago
1
Replace | with Union in OpenMM flow
#1103
orionarcher
closed
2 months ago
0
Automated dependency upgrades
#1102
tschaume
closed
2 months ago
1
VASP `RunType` is missing `PBE_64`/`LDA_64`
#1101
janosh
opened
2 months ago
3
Automated dependency upgrades
#1100
tschaume
closed
2 months ago
0
[Aborted] Feat: Add run types for GW calculations
#1099
yanghan234
closed
2 months ago
0
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