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JOSS review #38

Merged
merged 112 commits into from
Jul 1, 2022
Merged

JOSS review #38

merged 112 commits into from
Jul 1, 2022

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a-ws-m
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@a-ws-m a-ws-m commented Jul 1, 2022

Addresses review comments in openjournals/joss-reviews#3700 .

Changes include:

  • Matbench Benchmarks
  • Documentation improvements
  • Clearer tests

a-ws-m added 30 commits October 14, 2021 14:38
@a-ws-m
Update citation key
159385f
@a-ws-m
Add maths to NLL documentation (#33)
31b43e9
@a-ws-m
Add coveragerc (#28)
1de84ff
@a-ws-m
Correct link to issue comment (#21)
825d0c7
@a-ws-m
#24
62a2c57
@a-ws-m
Add instructions for utilities (#29)
335c2c4
@a-ws-m
Make save_struct_data public (#27)
7c45497
@a-ws-m
Actually test downloading (#22)
80644f6
@a-ws-m
Exclude large files from workspace watch
0bcbebb
@a-ws-m
Add pytest-cov to tox deps
91a3651
@a-ws-m
Correct package name
4fd766d
@a-ws-m
Use pytest.approx for floating points (#23)
20a5957
@a-ws-m
Remove reference to tensorflow issue
c2cfbf1
@a-ws-m
Correct pytest.approx syntax (#23)
1112af1
@a-ws-m
Test reload functionality in load_data
37ea3bf
@a-ws-m
[WIP] Metrics testing suite
fafe25a
@a-ws-m
Citation (#24)
e7b4cb2
@a-ws-m
Change RTD Slug (#20)
2b26f1b
@a-ws-m
Add save_struct_data to docs (#27)
5683f30
@a-ws-m
Add pytest-mock to test installs
af8f028
@a-ws-m
Hide metrics tests whilst WIP
7c5c17d
@a-ws-m
Split up model tests (#25)
fb54187
@a-ws-m
Correct variation description
a2ac525
@a-ws-m
Add metrics tests (#26)
de19247
@a-ws-m
Don't cover backwards compatible checks (use tox)
e22576e
@a-ws-m
Add a test for custom kernels
46b0911
@a-ws-m
Clarify amplitude and length_scale (#32)
4298d05
@a-ws-m
Correct TestKernel implementation to match docs
57e793c
@a-ws-m
Add amplitude and ls to docs (#32)
7072967
@a-ws-m
[FIX] amplitude and ls property types (#32)
ba6c627
a-ws-m and others added 28 commits December 13, 2021 21:09
@a-ws-m
Add kanbn
e9efe33
@a-ws-m
Fix required fold for data only mode
0c6415a
@a-ws-m
Fix typo
e47159b
@a-ws-m
Fix folding issue
ea39205
@a-ws-m
Fix ArgumentError arguments
60b255a
@a-ws-m
Merge branch 'joss-review' of github.com:a-ws-m/unlockNN into joss-re…
f08e79e 
…view
@a-ws-m
Fix model dirname method
74ce5d8
@a-ws-m
Fix ignore_ckpt CLI arg
59ef78b
@a-ws-m
Fix numpy array inputs to predict
c92881d
@a-ws-m
Fix validation metrics path
f69d96f
@a-ws-m
Perovskites benchmark results + vis
c3a0da4
@a-ws-m
Update Kanban
d8faf9b
@a-ws-m
Results visualisation
4fe0a86
@a-ws-m
Fix MEGNet metric evaluation
221d7ca
@a-ws-m
Add phonons results + metrics
064a080
@a-ws-m
Write probabilistic predictions to disk for eval
ad52a2e
@a-ws-m
Fix targets to write
40acdc3
@a-ws-m
[WIP] Uncertainty results visualisation
2afaf50
@a-ws-m
[WIP] First draft of UQ plot code
12fd4fa
@a-ws-m
Move graphs to appropriate directory
0d9389b
@a-ws-m
Remove obsolete kanban
61b90dd
@a-ws-m
Compile when loading
ff68ea6
@a-ws-m
Add model predictions
368f18e
@a-ws-m
Calibration and parity plots
7b640c3
@a-ws-m
Get average metrics and show legend
b78256b
@a-ws-m
[WIP] Add benchmarks info
a8e5fc9
@a-ws-m
Finalise benchmarks info JOSS Review #19
45ec0e2
@a-ws-m
Clarify parity plots
e2090c8
@a-ws-m a-ws-m merged commit a8ba892 into master Jul 1, 2022
@a-ws-m a-ws-m deleted the joss-review branch July 1, 2022 16:36
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