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Tutorials_fix #62

Merged
merged 113 commits into from
May 29, 2023
Merged

Tutorials_fix #62

merged 113 commits into from
May 29, 2023

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EnricoTrizio
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@EnricoTrizio EnricoTrizio commented May 10, 2023 •
edited by luigibonati
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Description

  • Add last missing tutorials as in Issue [docs] add notebooks #9
  • Added utils for minimum free energy path in Muller-Brown toy models
  • Remove useless files from experiments folders

Todos

Check and expand tutorials

  • NewCV from scratch
  • NewCV from overload
  • Multitask tutorial
  • Add Colab buttons and setup functions
  • Edit notebook names
  • Add button for documentation?

Status

  • Ready to go

EnricoTrizio added 16 commits May 5, 2023 17:51
@EnricoTrizio
Adde mfep to muller-brown + mfep utils to plot
6dfb7fd
@EnricoTrizio
First part of new cv tutorial
91ce330
@EnricoTrizio
Deleted useless file from paper_experiments folder
c0647c8
@EnricoTrizio
Merge branch 'develop_trizio' into tutorials_fix
aa63502
@EnricoTrizio
Fixed typo in comments in autoencoder cv
0109606
@EnricoTrizio
Added tutorial for new cv implementation
eb27cfb
@EnricoTrizio
Added utils to load mfep to exp_4 notebook
c5d5695
@EnricoTrizio
Multitasking tutorial first commit
600e28f
@EnricoTrizio
Added NormalizationInverse helper class
f3fb573
@EnricoTrizio
Added to AE CVs method to export the decoder model + inversed normali…
fa88ee8 
…zation
@EnricoTrizio
Replaced NormalizationInverse with transform.utils.Inverse wrapper class
7124524
@EnricoTrizio
Changed return_decoder_model to get_decoder_model and use Inverse wra…
c806ce3 
…pper
@EnricoTrizio
Added short intro to multitask tutorial
49399c5
@EnricoTrizio
Merge branch 'main' into tutorials_fix
0336f7c
@EnricoTrizio
Added comments to MultitaskCV tutorial
9203e05
@EnricoTrizio
Update newCV tutorial
51ca173
@EnricoTrizio EnricoTrizio added the documentation Improvements or additions to documentation label May 10, 2023
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codecov bot commented May 10, 2023 •
edited
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Codecov Report

Merging #62 (959f5ae) into main (6114270) will increase coverage by 91.58%.
The diff coverage is 82.14%.

andrrizzi
andrrizzi approved these changes May 11, 2023
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Spotted a few typos and added a few comments, but it looks awesome.

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@andrrizzi
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Looks great to me!

EnricoTrizio and others added 27 commits May 26, 2023 12:07
@EnricoTrizio
Added utils to load mfep to exp_4 notebook
6b31c21
@EnricoTrizio
Multitasking tutorial first commit
3696c6a
@EnricoTrizio
Added short intro to multitask tutorial
836ac94
@EnricoTrizio
Added comments to MultitaskCV tutorial
c1ba499
@EnricoTrizio
Update newCV tutorial
2ce4d69
@EnricoTrizio
Removed mfep utils from mutitask experiment notebook
bdd4763
@EnricoTrizio
Fixed typos and added @andrrizzi review comments on multitask tutorial
b8b2329
@EnricoTrizio
Fixed typos, added @andrrizzi review comments, removed repetitions in…
b254aaf 
… code cells in newCV tutorial
@EnricoTrizio
First part of new cv tutorial
b8e998e
@EnricoTrizio
Added tutorial for new cv implementation
2b3c2fc
@EnricoTrizio
Added utils to load mfep to exp_4 notebook
539c879
@EnricoTrizio
Multitasking tutorial first commit
aed2160
@EnricoTrizio
Added short intro to multitask tutorial
386a076
@EnricoTrizio
Added comments to MultitaskCV tutorial
2dd108f
@EnricoTrizio
Update newCV tutorial
d57d78d
@EnricoTrizio
Removed mfep utils from mutitask experiment notebook
6f88e65
@EnricoTrizio
Fixed typos and added @andrrizzi review comments on multitask tutorial
4b2058c
@EnricoTrizio
Fixed typos, added @andrrizzi review comments, removed repetitions in…
b6c563f 
… code cells in newCV tutorial
@luigibonati @EnricoTrizio
added tutorial for implementing CVs from subclassing
40877d8
@luigibonati @EnricoTrizio
added tutorials in doc
d4b78ae
@luigibonati @EnricoTrizio
draft version preprocessing
11f250a
@luigibonati @EnricoTrizio
update tutorial subclassing
d2ad77e
@EnricoTrizio
fixed error for not defined variable in preprocessing tutorial
03e144f
@luigibonati @EnricoTrizio
added pre/post processing tutorial
6cdf2de
@EnricoTrizio
Merge branch 'tutorials_fix' of https://github.com/luigibonati/mlcolvar…
db3c834 
… into tutorials_fix
@EnricoTrizio
Added colab butons and setup to new adv notebook
f43fdb4
@EnricoTrizio
Moved notebooks testing only to Ubuntu
959f5ae
@luigibonati
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This also fixes #72

@luigibonati luigibonati merged commit c4f8518 into main May 29, 2023
@EnricoTrizio EnricoTrizio mentioned this pull request May 30, 2023
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@andrrizzi andrrizzi andrrizzi approved these changes

@luigibonati luigibonati Awaiting requested review from luigibonati

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@EnricoTrizio @andrrizzi @luigibonati