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samplchallenges
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SAMPL9
MIT License
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Hg analysis edit
#40
amezcum1
closed
1 year ago
0
Add experimental reference for logP toluene/water
#39
davidlmobley
closed
1 year ago
0
Add NLuc stage1 analysis and IC50s
#38
amezcum1
closed
1 year ago
0
Update README with link to release version/v0.8 release
#37
davidlmobley
closed
1 year ago
0
Add logP experimental values
#36
davidlmobley
closed
1 year ago
0
Add logP submissions from this challenge
#35
davidlmobley
closed
1 year ago
0
Update README files/add logP submission server
#34
davidlmobley
closed
1 year ago
0
Add SAMPL9 physical properties (logP) submission templates, update compound naming
#33
davidlmobley
closed
1 year ago
0
Add protein-ligand stage 2 submissions
#32
davidlmobley
closed
1 year ago
0
Add logP challenge info for toluene-water logP challenge
#31
davidlmobley
closed
2 years ago
0
Add a ranking challenge to the Stage 2 phase of NanoLuc binding
#30
davidlmobley
closed
2 years ago
0
Correct nanoluc stage1 binders
#29
davidlmobley
closed
2 years ago
0
Add NanoLuc Stage 1 submissions
#28
davidlmobley
closed
2 years ago
0
Add NanoLuc Stage 1 answers/Stage 2 inputs
#27
davidlmobley
closed
2 years ago
0
Update NanoLuc challenge deadlines
#26
davidlmobley
closed
2 years ago
0
Add SMILES strings for molecules for which conformer generation had failed
#25
davidlmobley
closed
2 years ago
0
Correct list of conformer generation failures for NanoLuc stage 1
#24
davidlmobley
closed
2 years ago
0
Reorganize and improve NanoLuc template files; add submission link
#23
davidlmobley
closed
2 years ago
0
Add submission formats, deadlines for NanoLuc challenge
#22
davidlmobley
closed
2 years ago
0
Add conformers, info on unspecified stereochemistry for NanoLuc
#21
davidlmobley
closed
2 years ago
0
Add details on NCATS nanoluc challenge
#20
davidlmobley
closed
2 years ago
0
Hg analysis
#19
amezcum1
closed
2 years ago
0
add exp data and files for analysis
#18
amezcum1
closed
2 years ago
0
bCD experimental data
#17
amezcum1
closed
2 years ago
0
Add CD submissions, user map
#16
davidlmobley
closed
2 years ago
0
Add CD challenge submission link
#15
davidlmobley
closed
2 years ago
0
Add WP6 experimental reference
#14
davidlmobley
closed
2 years ago
0
Wp6 - Fixes TFP guest files
#13
amezcum1
closed
2 years ago
1
Think through challenge design
#12
davidlmobley
opened
2 years ago
3
Add WP6 host pKa values
#11
davidlmobley
closed
2 years ago
0
files for trifluoroperazine (TFP) have a SF3 group
#10
egallicc
closed
2 years ago
1
Add WP6 submissions
#9
davidlmobley
closed
3 years ago
2
Add experimental data for the WP6 challenge
#8
bergazin
closed
3 years ago
1
Cyclodextrin Challenge
#7
amezcum1
closed
3 years ago
1
When will the experimental host-guest results be released for SAMPL9?
#6
vvoelz
closed
2 years ago
2
Update details on G4 which contains TMS - make G4 optional
#5
davidlmobley
closed
3 years ago
0
Delay deadline
#4
davidlmobley
closed
3 years ago
0
Wp6 - Updates a few broken links
#3
amezcum1
closed
3 years ago
0
Add submission server details
#2
davidlmobley
closed
3 years ago
0
WP6 Challenge initial info
#1
amezcum1
closed
3 years ago
2