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Fixing askcos #69

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merged 32 commits into from
May 27, 2024
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6b77b49
Tiny change in README
kabu00002 Apr 16, 2024
1f56872
custom/1_1 completed
kabu00002 Apr 16, 2024
8fa0ee2
custom/1_2 completed
kabu00002 Apr 16, 2024
61048be
custom/1_3 completed
kabu00002 Apr 16, 2024
5704c37
modified use of askcos api
kabu00002 Apr 23, 2024
b6b5166
bug fixed
kabu00002 Apr 30, 2024
ccd65cd
running 1_4
kabu00002 Apr 30, 2024
676f7dc
rerun 1_4 + fix plots retro
kabu00002 May 13, 2024
412ac55
removed redundant code for writin to sdf
kabu00002 May 13, 2024
a588b6c
updated custom kinfraglib
kabu00002 May 13, 2024
4ef05c8
updated sutsom kinfraglib
kabu00002 May 13, 2024
344576f
added comments
kabu00002 May 13, 2024
96545d6
rerun 1_4
kabu00002 May 13, 2024
3e3a7c5
added note to notebook
kabu00002 May 13, 2024
74c2459
Merge branch 'fixing_askcos' of github.com:volkamerlab/KinFragLib int…
kabu00002 May 13, 2024
ece5741
updated readme
kabu00002 May 13, 2024
550b66c
updated readme
kabu00002 May 13, 2024
6670107
fixed bug in plots
kabu00002 May 13, 2024
53cde35
rerun syba
kabu00002 May 13, 2024
fb2029f
fixed bug in plots
kabu00002 May 13, 2024
7849e83
rerun syba
kabu00002 May 13, 2024
da4475f
fixed another bug (showing decimals for mean)
kabu00002 May 13, 2024
c004530
Merge branch 'update_custom_kinfraglib' of github.com:volkamerlab/Kin…
kabu00002 May 13, 2024
b77e35f
changed path
kabu00002 May 13, 2024
a9f207a
Merge branch 'fixing_askcos' of github.com:volkamerlab/KinFragLib int…
kabu00002 May 13, 2024
74d3009
rerun 2_2
kabu00002 May 13, 2024
debbada
spelling and small rephrasing
PaulaKramer May 13, 2024
012be92
wip
kabu00002 May 27, 2024
ff36cf2
wip
kabu00002 May 27, 2024
6ce9426
review
kabu00002 May 27, 2024
e0bca1d
Merge branch 'fixing_askcos' of github.com:volkamerlab/KinFragLib int…
kabu00002 May 27, 2024
0c66eeb
added installation hint to README
kabu00002 May 27, 2024
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rerun 1_4
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kabu00002 committed May 13, 2024
commit 96545d6c503b9c4ea21ec626508994a279c42d99
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