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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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Enable querying based on license data in builder meta
#848
munrojm
closed
11 months ago
1
Bug when parsing LDA pseudopotential
#847
Andrew-S-Rosen
opened
11 months ago
0
Automated dependency upgrades
#846
tschaume
closed
11 months ago
1
Automated dependency upgrades
#845
tschaume
closed
11 months ago
1
Automated dependency upgrades
#844
tschaume
closed
11 months ago
1
Automated dependency upgrades
#843
tschaume
closed
11 months ago
0
Automated dependency upgrades
#842
tschaume
closed
11 months ago
1
Automated dependency upgrades
#841
tschaume
closed
11 months ago
1
[Idea]: User-friendly access to properties
#840
davidwaroquiers
opened
11 months ago
7
Fix `pymatgen` breaking change: `PotcarSingle.get_potcar_hash` renamed to `md5_header_hash`
#839
janosh
closed
11 months ago
8
Remove PyObject pydantic type from model type hints
#838
munrojm
closed
11 months ago
1
Remove the pymatgen<=2023.9.10 version pin from `emmet-core`
#837
Andrew-S-Rosen
closed
11 months ago
3
Small pydantic related bug fixes and linting
#836
munrojm
closed
11 months ago
1
Automated dependency upgrades
#835
tschaume
closed
11 months ago
1
Automated dependency upgrades
#834
tschaume
closed
11 months ago
0
Automated dependency upgrades
#833
tschaume
closed
11 months ago
1
Automated dependency upgrades
#832
tschaume
closed
11 months ago
0
Automated dependency upgrades
#831
tschaume
closed
11 months ago
1
Automated dependency upgrades
#830
tschaume
closed
11 months ago
0
Automated dependency upgrades
#829
tschaume
closed
11 months ago
0
Automated dependency upgrades
#828
tschaume
closed
11 months ago
0
Automated dependency upgrades
#827
tschaume
closed
11 months ago
0
Automated dependency upgrades
#826
tschaume
closed
11 months ago
1
Automated dependency upgrades
#825
tschaume
closed
11 months ago
1
Add `is_hubbard` and `hubbards` to entry.parameters
#824
mkhorton
closed
1 year ago
4
Automated dependency upgrades
#823
tschaume
closed
1 year ago
1
Changing Elasticity builder to identify deformation calcs *not* using calc_type
#822
matthewkuner
opened
1 year ago
0
Automated dependency upgrades
#821
tschaume
closed
1 year ago
0
Remove chemsys cap in missing comp
#820
munrojm
closed
1 year ago
1
Fix query in missing compositions
#819
munrojm
closed
1 year ago
1
Fix missing compositions builder
#818
munrojm
closed
1 year ago
1
Fix deprecated tasks in deprecated materials
#817
munrojm
closed
1 year ago
1
add a missing composition builder
#816
yang-ruoxi
closed
1 year ago
1
[WIP] Create comprehensive validator for VASP calculations
#815
matthewkuner
closed
8 months ago
2
Add conversion electrodes API
#814
munrojm
closed
1 year ago
1
Automated dependency upgrades
#813
tschaume
closed
1 year ago
1
emmet-core requirement for openbabel not declared
#812
drew-parsons
opened
1 year ago
1
[WIP] PR: Construction of a QChem TaskDoc which can eventually replace the atomate(1) drones.py functionality
#811
rdguha1995
closed
9 months ago
3
Revert enum exclusion from git
#810
munrojm
closed
1 year ago
1
Automated dependency upgrades
#809
tschaume
closed
1 year ago
0
Automated dependency upgrades
#808
tschaume
closed
1 year ago
0
Clear band structure data incrementally
#807
munrojm
closed
1 year ago
1
Add `MLBuilder` and `MLDoc` to record machine learning property predictions
#806
janosh
closed
11 months ago
10
Automated dependency upgrades
#805
tschaume
closed
1 year ago
0
Ensure open data requests are unsigned
#804
munrojm
closed
1 year ago
1
Fix robocrys type errors
#803
munrojm
closed
1 year ago
1
Change molecules legacy endpoint
#802
munrojm
closed
1 year ago
1
Automated dependency upgrades
#801
tschaume
closed
1 year ago
1
`task_type` incorrectly identifies NSCF Line calcs as Uniform calcs
#800
matthewkuner
opened
1 year ago
0
Bump cryptography from 41.0.2 to 41.0.3 in /emmet-builders/requirements
#799
dependabot[bot]
closed
1 year ago
2
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