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aiidalab
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aiidalab-widgets-base
Reusable widgets for AiiDAlab applications
MIT License
6
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17
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Bump traitlets to v5.9
#526
danielhollas
closed
8 months ago
9
WIP: SmilesWidget: Use MMFF94 to optimize generated structures
#525
danielhollas
opened
9 months ago
1
Consider switching from Selenium to Playwright for UI tests
#524
danielhollas
opened
9 months ago
0
Use mock home and monkeypatch ssh parser for ssh config testing
#523
unkcpz
closed
9 months ago
1
Structure viewer for 0d hide the cell tab
#522
unkcpz
opened
9 months ago
1
Do not create cell for 0D input structure
#521
unkcpz
opened
9 months ago
2
[pre-commit.ci] pre-commit autoupdate
#520
pre-commit-ci[bot]
closed
9 months ago
1
Problematic SMILES
#519
danielhollas
opened
9 months ago
5
Remove openbabel dependency
#518
danielhollas
closed
9 months ago
2
Improve generation of tough SMILES
#517
danielhollas
closed
9 months ago
1
Various issues in SshComputerSetup
#516
danielhollas
opened
10 months ago
3
Extend documentation for the viewers module.
#515
yakutovicha
closed
8 months ago
1
DOC: re-strucuture the doc folder
#514
unkcpz
closed
10 months ago
2
Fix .ssh/config file not being closed
#513
danielhollas
closed
9 months ago
2
Fix Warning coming from ProcessFollowerWidget
#512
danielhollas
closed
10 months ago
2
Template resources setting
#511
unkcpz
closed
8 months ago
21
SMILES bug
#510
cpignedoli
closed
9 months ago
0
Remove warnings in unit tests
#509
danielhollas
closed
9 months ago
7
Get rid of deprecation warnings in computational_resources.py
#508
danielhollas
closed
10 months ago
1
SmilesWidget: Canonicalize SMILES code
#507
danielhollas
closed
10 months ago
2
`CompResourcesWidget`: do not raise when computer test fails
#506
yakutovicha
closed
10 months ago
2
BUG in Smiles Widget
#505
cpignedoli
closed
10 months ago
5
StructureViewer Download tab: pass file format explicitly
#504
danielhollas
closed
10 months ago
1
Add the concurrency setup to CI workflow
#503
unkcpz
closed
11 months ago
1
Computer setup: Fix core.local transport
#502
danielhollas
closed
10 months ago
3
Structure download section: add `extxyz` and `xsf` formats
#501
yakutovicha
closed
11 months ago
1
Structure viewer: cell is absent when downloading structure in XYZ format.
#500
yakutovicha
closed
11 months ago
2
Bump scikit-learn
#498
danielhollas
closed
12 months ago
4
Make notebook tests less flaky
#497
danielhollas
closed
12 months ago
3
Lazy import optimade_client
#496
danielhollas
closed
12 months ago
8
StructureViewer: Print 3 decimal places for distance and angles
#495
danielhollas
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#494
pre-commit-ci[bot]
closed
1 year ago
1
Remove dynamic version attribute from setup.cfg
#493
danielhollas
closed
1 year ago
3
aiida-core 2.4 broke ProcessCallStackWidget
#492
danielhollas
closed
1 year ago
0
ProcessCallStackWidget: Fix calc_info signature for aiida-core 2.4
#491
danielhollas
closed
1 year ago
1
Cleanup warning from unit tests
#490
danielhollas
closed
9 months ago
0
SmilesWidget: Fix generation of 1- and 2-atom molecules
#489
danielhollas
closed
1 year ago
4
allow structures with different periodicity, add periodicity
#488
AndresOrtegaGuerrero
closed
1 year ago
1
updating spglib to 2.0.2
#487
AndresOrtegaGuerrero
closed
1 year ago
7
Update spglib to >=2.0
#486
AndresOrtegaGuerrero
closed
1 year ago
0
Logic in viewers doesnt allow periodicity different than True , True , True
#485
AndresOrtegaGuerrero
closed
1 year ago
0
BasicCellEditor supercell option
#484
AndresOrtegaGuerrero
closed
1 year ago
0
WIP: using template to setup the computer/code
#483
unkcpz
closed
10 months ago
3
AiiDA code registry for code/computer setup having template yml support
#482
unkcpz
closed
8 months ago
2
Remove leftover load profile
#481
unkcpz
closed
11 months ago
22
ProcessMonitor: Increase default timeout
#480
danielhollas
closed
1 year ago
1
Remove spinning Thread from WizzardAppWidgetStep
#479
danielhollas
closed
1 year ago
8
Add test for the `ProcessMonitor` widget.
#478
yakutovicha
closed
1 year ago
1
SmilesWidget: Cannot generate 2-atom molecule
#477
danielhollas
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#476
pre-commit-ci[bot]
closed
1 year ago
1
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