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DrugBud-Suite
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DockM8
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
https://drugbud-suite.github.io/dockm8-web/
GNU General Public License v3.0
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Add ability to generate protein conformational ensemble automatically
#65
Tonylac77
opened
5 days ago
0
ERROR: Failed building wheel for prody
#63
P4j45
opened
2 weeks ago
9
LigGrep Implementation
#62
HiteSit
opened
2 weeks ago
0
DockM8 Scoring function for Thomson Sampling routine
#61
HiteSit
opened
2 weeks ago
0
MMPBSA / MMGBSA Rescoring
#60
HiteSit
opened
3 weeks ago
0
Questions regarding binding box
#59
abiotik
closed
2 weeks ago
1
Tonylac77/issue55
#58
Tonylac77
closed
1 month ago
0
Error while running dockm8.ipynb
#57
abiotik
closed
1 month ago
7
Improve software installation using Python scripts
#55
Tonylac77
opened
1 month ago
0
Tonylac77/issue53
#54
Tonylac77
closed
1 month ago
0
Reorganise Scoring Functions with classes for each function
#53
Tonylac77
closed
1 month ago
0
Tonylac77/issue10
#52
Tonylac77
closed
2 months ago
0
Tonylac77/issue11
#51
Tonylac77
closed
2 months ago
0
Tonylac77/issue43
#50
Tonylac77
closed
2 months ago
0
Tonylac77/issue15
#44
Tonylac77
closed
3 months ago
0
Create multipage streamlit app
#43
Tonylac77
closed
2 months ago
0
Add new pose selection algorithms
#42
Tonylac77
opened
3 months ago
0
34-fix-docking-generating-incorrect-number-of-poses
#41
Tonylac77
closed
3 months ago
0
Tonylac77/issue8
#40
Tonylac77
closed
3 months ago
0
Check if links are updated
#39
AndreaVolkamer
closed
4 months ago
1
Tonylac77/issue8
#38
Tonylac77
closed
4 months ago
0
Tonylac77/issue35
#37
Tonylac77
closed
4 months ago
0
Tonylac77/issue15
#36
Tonylac77
closed
4 months ago
0
Fix library preparation missing compounds
#35
Tonylac77
closed
4 months ago
0
Fix docking generating incorrect number of poses
#34
Tonylac77
closed
3 months ago
0
add psovina
#33
Tonylac77
closed
4 months ago
0
Tonylac77/issue30
#32
Tonylac77
closed
4 months ago
0
Tonylac77/issue29
#31
Tonylac77
closed
4 months ago
0
Use config file instead off a long list of arguments for dockm8.py
#30
Tonylac77
closed
4 months ago
0
Implement pdb fixer in protein preparation
#29
Tonylac77
closed
4 months ago
0
27 reorganise library preparation scripts into a folder
#28
Tonylac77
closed
4 months ago
0
Reorganise library preparation scripts into a folder
#27
Tonylac77
closed
4 months ago
0
Tonylac77/issue13
#26
Tonylac77
closed
4 months ago
0
Tonylac77/issue8
#25
Tonylac77
closed
4 months ago
0
Tonylac77/issue23
#24
Tonylac77
closed
4 months ago
0
Split pocket finding scripts and add pocket_finding folder
#23
Tonylac77
closed
4 months ago
0
Fix Issue #20
#22
Tonylac77
closed
4 months ago
0
Refs/heads/19 split docking scripts so that each program has its own script
#21
Tonylac77
closed
4 months ago
0
GypsumDL adds an extra molecule to the final_library.sdf file to store its parameters, remove that
#20
Tonylac77
closed
4 months ago
0
Split docking scripts so that each program has it's own script
#19
Tonylac77
closed
4 months ago
0
Allow for active compound retrieval from CHEMBL and other datasets for decoy generation
#18
Tonylac77
opened
5 months ago
1
Improve conformer generation
#17
Tonylac77
opened
5 months ago
0
Add better reporting after docking run
#16
Tonylac77
opened
5 months ago
0
Improve docking pose post processing and filtering
#15
Tonylac77
opened
5 months ago
0
Implement class structure
#14
Tonylac77
opened
6 months ago
0
Add new binding site detection options
#13
Tonylac77
opened
6 months ago
0
Implement New scoring functions
#11
Tonylac77
opened
6 months ago
0
Add faster docking methods
#10
Tonylac77
opened
6 months ago
0
Implement PyPackIT as a package manager
#9
Tonylac77
opened
6 months ago
0
Implement Pytest testing framework
#8
Tonylac77
opened
6 months ago
0
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