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BioNeMo_Molecure_optimization
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Runs
4
Name
4 visualized
CMS_EA_Optimization_20240529_033326
CMS_EA_Optimization_20240529_033326
HPO_visualization_20240529_033319
HPO_visualization_20240529_033319
Basic_Optuna_20240529_031728
Basic_Optuna_20240529_031728
simple-EDA
simple-EDA
1-4
of 4
Settings
Add panels
Charts
7
1-3 of 7
score, sigma
score, sigma
0
10
20
30
40
Step
-1
0
1
Basic_Optuna_20240529_031728
score
Basic_Optuna_20240529_031728
sigma
LOWESS Plot
CMS_EA_Optimization_20240529_033326
HPO_visualization_20240529_033319
Step
Max of best_params.sigma
Max of best_params.sigma
HPO_visualization_20240529_033319
0.4813
Media
1
runs
.
summary
["
optimization_results
"]
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run
.name
iteration
idx
molecure
smiles
structure
qud_score
tanimoto_score
11
33
38
54
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List<Maybe<File<(table)>>>
Ops
.contents
.count
.digest
.dropna
.filter((row) => row)
.isNone
.join(, (row) => row, (row) => row, "", "", , )
.joinToStr("")
.map((row, index) => row)
.merge("")
.size
.table
.table("")
[]
.project
.run