Diffusion master_thesis_Lee (master) History

History
master9142bfbf8f106ea8c6c4d43…

Mar 7 2023

remove .smi files
9142bfbf8f10
·leetseng on Mar 7 2023, 17:44.
remove files
178c452abe84
·leetseng on Mar 7 2023, 17:39.
WIP: test the plot function
f8ff7d4811ec
·leetseng on Mar 7 2023, 17:38.

Feb 8 2023

FIX: Redefine the global variables.
d80d83b3ef6c
·leetseng on Feb 8 2023, 09:37.

Feb 7 2023

ADD: Build pipeline for combined learning of PaDEL descriptor
154d19f0cf46
·leetseng on Feb 7 2023, 17:24.
ADD: Combined Learning on PaDEL
b4a4bd364e67
·leetseng on Feb 7 2023, 04:43.

Jan 30 2023

Delete the file
a54c49dbb079
·leetseng on Jan 30 2023, 22:45.
Delete the file
c5c2df6a36d9
·leetseng on Jan 30 2023, 22:43.
Delete the file
9e10f7722885
·leetseng on Jan 30 2023, 22:38.
ADD: rank RF feature importance on 6 models
e0744608a5b9
·leetseng on Jan 30 2023, 22:31.

Dec 14 2022

FIX: rename old column names to'hl_bayesian_mean' and 'hl_bayesian_std'
ce40b2f26ae7
·leetseng on Dec 14 2022, 11:42.
ADD: bay mean and bay std calculation, dropna for 'halflife' and 'halflife_log'
ccb0dafe34e0
·leetseng on Dec 14 2022, 09:29.
rename the columns of sludge dataset to consistent with the soil dataset.
11193f6c506e
·leetseng on Dec 14 2022, 09:16.

Nov 7 2022

WIP
ac552bf786d8
·leetseng on Nov 7 2022, 14:45.

Oct 26 2022

WIP: construct the template of RF model
183e4f4de3dc
·leetseng on Oct 26 2022, 20:41.
FIX: arcessere_vss relevent function
8da06b34ec16
·leetseng on Oct 26 2022, 20:36.
FIX: RunttimeError remove by set up maxruntime
47e4084c1699
·leetseng on Oct 26 2022, 20:34.

Oct 21 2022

ADD merge the scenario and compound information, get_unit
3d2124e594ad
·leetseng on Oct 21 2022, 13:50.

Oct 20 2022

ADD scenario_id into def add_scenario_information
bb80282f2c47
·leetseng on Oct 20 2022, 07:55.

Oct 19 2022

FIX the logical error of the add_scenario_information, write the fetched data…
df96678a02dc
·leetseng on Oct 19 2022, 16:30.

Oct 17 2022

WIP caculate the datapoints in each datatypes, modify main function, define…
3d46bbb35461
·leetseng on Oct 17 2022, 12:52.

Oct 7 2022

WIP: find scenario datatypes, define function, create new dict,iterate through…
0b92b77f0690
·leetseng on Oct 7 2022, 19:29.

Sep 29 2022

FIX add sys.path.insert(1, path), reset interpreter
bc793baac8ff
·leetseng on Sep 29 2022, 14:55.

Sep 28 2022

FIX switch to develop branch of Jasmin, modify the sys.insert path
f0ff2912ca02
·leetseng on Sep 28 2022, 16:24.
test
9f860f039b4f
·leetseng on Sep 28 2022, 15:25.

Sep 27 2022

FIX extract_all_compounds sys.path/iterate through scenarios
8f89bb8660ad
·leetseng on Sep 27 2022, 17:18.

Sep 22 2022

expnad_dataset
0ea7cdc539eb
·leetseng on Sep 22 2022, 14:18.

Sep 20 2022

practice
7bda70e22b5c
·unknown on Sep 20 2022, 11:15.

Sep 14 2022

test change
0be8890d24fc
·unknown on Sep 14 2022, 16:53.
Hello
0d36eb534bab
·unknown on Sep 14 2022, 14:42.