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Fix dashboard plots + Display rough model accuracy #11

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Fix dashboard plots + Display rough model accuracy #11

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b51f08a
changed settings variable directory to store models
csvillalta Jun 18, 2018
86d7d10
added headers, warnings, select only manual boolean_crystallisation_o…
csvillalta Jun 18, 2018
bd77134
added script to generate CSV of descriptor data from database
csvillalta Jul 2, 2018
c531b36
added rxnSpaceHash1 to the descriptors, changed the default for --cou…
csvillalta Jul 2, 2018
60a814d
updated exploratorySplitter to python3
csvillalta Jul 2, 2018
6be900e
added if statement to check for none-type in self.amount_grams
csvillalta Jul 2, 2018
1e221a1
fixed typos
csvillalta Jul 2, 2018
d94ca51
added blurb about DataToCSV.py script
csvillalta Jul 2, 2018
590fbf1
fixed small error
csvillalta Jul 6, 2018
53b87e3
recommend command setup to pass in proper grid_params and desired_des…
csvillalta Jul 10, 2018
83d977d
modified the generate command to consider both bool and num descripto…
csvillalta Jul 10, 2018
aec180c
updated to calculate mean and std from only performedreactions
csvillalta Jul 10, 2018
696d5f7
sieve now checks with desired_desc_dict
csvillalta Jul 10, 2018
254b9e6
generator now generates hashes yet only uses mean when calculating co…
csvillalta Jul 10, 2018
67b3392
optional testing flag added to automatically reduce grid space
csvillalta Jul 10, 2018
a72941b
added print statement for status updates
csvillalta Jul 10, 2018
fd4f2e3
ReactionRecommender now outputs without error, still missing function…
csvillalta Jul 10, 2018
56c55f8
recommender is working -- albeit in an untidy state
csvillalta Jul 31, 2018
bd127f3
cleanup
csvillalta Aug 1, 2018
df9c749
generator now chooses compounds based on lab and validity
csvillalta Aug 3, 2018
9334671
labgroup now passed into ReactionRecommender instance
csvillalta Aug 3, 2018
172e0b6
ReactionRecommender now takes an additional labgroup argument
csvillalta Aug 3, 2018
3b23e2a
not only using valid reactions...
csvillalta Aug 3, 2018
8161dc4
small update
csvillalta Aug 3, 2018
07fe95e
added recommender readme
csvillalta Oct 4, 2018
04e153d
update rec readme
csvillalta Oct 4, 2018
46c467a
update
Oct 6, 2018
340c094
added note about commiting
Oct 6, 2018
d1f740d
updated git user and email update commands
csvillalta Oct 6, 2018
8963868
update git stuff for readme
csvillalta Oct 6, 2018
e22a4d3
updated rec_readme with basics on training models and exploring them …
csvillalta Oct 11, 2018
9633f31
added blurb about PEP8, pyline, yapf
csvillalta Oct 11, 2018
c242d23
modified for profiling and added profiler output parsing script
csvillalta Nov 9, 2018
f5535a7
update rec_readme for profiling info
csvillalta Nov 9, 2018
44100be
update rec_readme for profiling info
csvillalta Nov 9, 2018
b85ea22
Initial commit
csvillalta Sep 27, 2019
db87e4b
Initial dashboard fix
csvillalta Nov 15, 2019
705fb2e
Finish dashboard
csvillalta Dec 22, 2019
0da5ba4
round accuracy to 2 decimal places
csvillalta Dec 22, 2019
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5 changes: 4 additions & 1 deletion .gitignore
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Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,7 @@ tmp/*
models/*
metrics/*

*.csv
*.model
*.txt
*.pyc
Expand All @@ -28,5 +29,7 @@ metrics/*

Database_Reactions*csv


.idea/
*.ipynb_checkpoints
.vscode/
**/*.ipynb
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