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OpenFreeEnergy
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konnektor
Algorithms for various Network Layouts and Tooling for planning FE Calculations
https://konnektor.readthedocs.io/
MIT License
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Refactoring Code for Network tool & Network Planner - Concatenators
#40
RiesBen
closed
6 months ago
3
Update environment.yml
#39
richardjgowers
closed
6 months ago
2
Make CI Work!
#38
RiesBen
closed
6 months ago
0
Planner: Additional ScorerCluster passable
#37
RiesBen
closed
2 months ago
0
implements simple charge clustering class
#36
richardjgowers
closed
6 months ago
1
visualisation review/refactor
#35
richardjgowers
closed
6 months ago
1
Tool: Cyclisation of Networks
#34
RiesBen
closed
2 months ago
1
Refactor konnektor/visualization
#33
RiesBen
closed
6 months ago
0
Refactor konnektor/utils
#32
RiesBen
closed
6 months ago
0
Refactor konnektor/network_tools
#31
RiesBen
closed
6 months ago
0
refactor Refactor konnektor/generators
#30
RiesBen
closed
6 months ago
0
refactor konnektor/concatenator
#29
RiesBen
closed
6 months ago
0
Refactor konnektor/network_analysis
#28
RiesBen
closed
6 months ago
0
Refactor konnektor/data
#27
RiesBen
closed
6 months ago
0
Charge Group - Grug Clustering
#26
RiesBen
closed
6 months ago
0
network algorithm: add network planners forced edges
#25
RiesBen
opened
7 months ago
0
network algorithm: add network planners forbidden edges
#24
RiesBen
opened
7 months ago
0
konnektor/network_planners/concatenator Algorithms: Cyclic Concatenator
#23
RiesBen
closed
2 months ago
1
Tool: Make Node more Redundant
#22
RiesBen
closed
2 months ago
1
Tool: CompoundClustering based on MarkushStructure
#21
RiesBen
closed
6 months ago
0
implement Scaffold Clustering
#20
RiesBen
closed
5 months ago
0
Build User Stories
#19
RiesBen
closed
6 months ago
0
[WIP] Create scoring_function_expansion
#18
RiesBen
closed
6 months ago
1
Konnektor Integration to OpenFE
#17
RiesBen
opened
9 months ago
0
Algorithms: heuristic Max network lister
#16
RiesBen
closed
7 months ago
0
Algorithms: Implement compound clustering
#15
RiesBen
closed
6 months ago
0
Algorithms: Implement Network Tools
#14
RiesBen
closed
7 months ago
0
Build Gufe LigandNetwork Class
#13
RiesBen
closed
9 months ago
0
Implement abstract LigandNetworkPlanner
#12
RiesBen
opened
9 months ago
0
Algorithms: Implement Graph Generators
#11
RiesBen
closed
7 months ago
0
Epic: Add Documentation
#10
RiesBen
closed
6 months ago
0
Epic: Check Unit Tests
#9
RiesBen
closed
6 months ago
0
Epic: Refactor repository
#8
RiesBen
closed
6 months ago
1
Algorithms: Implement Konnektor Visualization
#7
RiesBen
closed
6 months ago
0
Algorithms: Implement Diversity Cluster Networks
#6
RiesBen
closed
7 months ago
1
Clean up the plt calls
#5
RiesBen
closed
7 months ago
1
Algorithms: Implement Konnektor Analysis
#4
RiesBen
closed
6 months ago
0
Make connecting strategies modular - Diversity network planner
#3
RiesBen
closed
9 months ago
0
Increase Node Diversity - Cyclic Node Planner
#2
RiesBen
closed
9 months ago
0
Network planner: user-specified edges
#1
dwhswenson
closed
7 months ago
1
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