Selected edges are shown below with both ligands drawn side by side. The warm highlight is the soft-core region that changes during the transformation; the cool highlight is the common core that stays fixed.
16
Ligands
120
Edges
30
Repaired
0
Rejected
complete
Planner
Diagnostics
Network-level metrics. Machine time is estimated from published per-edge measurements and is a report only -- it played no part in choosing these edges.
Metric
Value
Total cost
226.226 scorer units
Estimated machine time
476.4 GPU-hours (about $190.56)
Mean cost per edge
1.885
Degree
min 15 · mean 15.00 · max 15
Isolated ligands
none
Diameter
1
Short cycles
6020 of length ≤ 4
Robustness
100% of 100 trials stay connected at 5% edge failure; 16.0 ligands retained on average
120 edges over 16 ligands meets the n*ln(n) precision floor of 45.
Network
Thicker edges are cheaper. Hollow red nodes are unconnected. Click a network edge or the index below to jump to its transformation card.
24 of the 30 repaired edges below can be toggled between the repaired soft-core and the one the mapper proposed. The repaired view is what is shown. The remaining 6 are repaired but carry no toggle, to keep the page small; raise --exporter-opt max_repair_comparisons=N (0 for all).
initial: 3 soft-core region(s) on side 1, 3 on side 2
iter 1 side 1: bridged 3 regions by demoting 1 atom(s) [19] [steiner:approximate]
iter 1 side 2: bridged 3 regions by demoting 1 atom(s) [19] [steiner:approximate]
final: 1/1 region(s), soft-core 4/13 atom(s)
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 1: absorbed 1 core atom(s) [29] stranded behind the soft-core
iter 1 side 2: absorbed 1 core atom(s) [29] stranded behind the soft-core
final: 1/1 region(s), soft-core 4/10 atom(s)
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [30]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [29]
iter 1 side 1: absorbed 2 core atom(s) [31, 32] stranded behind the soft-core
iter 1 side 2: absorbed 2 core atom(s) [30, 31] stranded behind the soft-core
final: 1/1 region(s), soft-core 9/5 atom(s)
initial: 1 soft-core region(s) on side 1, 1 on side 2
iter 1 side 1: absorbed 4 core atom(s) [31, 32, 33, 34] stranded behind the soft-core
iter 1 side 2: absorbed 4 core atom(s) [29, 30, 31, 32] stranded behind the soft-core
final: 1/1 region(s), soft-core 7/5 atom(s)
closure: normalised raw soft-core 3/5 -> 4/6 atoms
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [31]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [30]
iter 1 side 1: absorbed 2 core atom(s) [32, 34] stranded behind the soft-core
iter 1 side 2: absorbed 2 core atom(s) [31, 32] stranded behind the soft-core
final: 1/1 region(s), soft-core 7/9 atom(s)
closure: normalised raw soft-core 7/2 -> 8/3 atoms
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 1: absorbed 1 core atom(s) [29] stranded behind the soft-core
iter 1 side 2: absorbed 1 core atom(s) [29] stranded behind the soft-core
final: 1/1 region(s), soft-core 10/5 atom(s)
closure: normalised raw soft-core 9/9 -> 11/11 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 11/11 atom(s)
closure: normalised raw soft-core 11/3 -> 12/4 atoms
initial: 3 soft-core region(s) on side 1, 3 on side 2
iter 1 side 1: bridged 3 regions by demoting 1 atom(s) [19] [steiner:approximate]
iter 1 side 2: bridged 3 regions by demoting 1 atom(s) [19] [steiner:approximate]
final: 1/1 region(s), soft-core 13/5 atom(s)
closure: normalised raw soft-core 6/5 -> 7/6 atoms
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [34]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [30]
iter 1 side 1: absorbed 2 core atom(s) [35, 37] stranded behind the soft-core
iter 1 side 2: absorbed 2 core atom(s) [31, 32] stranded behind the soft-core
final: 1/1 region(s), soft-core 10/9 atom(s)
initial: 1 soft-core region(s) on side 1, 1 on side 2
iter 1 side 1: absorbed 4 core atom(s) [34, 35, 36, 37] stranded behind the soft-core
iter 1 side 2: absorbed 4 core atom(s) [29, 30, 31, 32] stranded behind the soft-core
final: 1/1 region(s), soft-core 10/5 atom(s)
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [29]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [30]
iter 1 side 1: absorbed 2 core atom(s) [30, 31] stranded behind the soft-core
iter 1 side 2: absorbed 2 core atom(s) [31, 32] stranded behind the soft-core
final: 1/1 region(s), soft-core 13/9 atom(s)
closure: normalised raw soft-core 9/12 -> 11/14 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 11/14 atom(s)
closure: normalised raw soft-core 6/12 -> 8/14 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 8/14 atom(s)
closure: normalised raw soft-core 12/9 -> 14/11 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 14/11 atom(s)
initial: 1 soft-core region(s) on side 1, 1 on side 2
iter 1 side 1: absorbed 4 core atom(s) [29, 30, 31, 32] stranded behind the soft-core
iter 1 side 2: absorbed 4 core atom(s) [29, 30, 31, 32] stranded behind the soft-core
final: 1/1 region(s), soft-core 13/5 atom(s)
closure: normalised raw soft-core 12/6 -> 14/8 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 14/8 atom(s)
closure: normalised raw soft-core 12/6 -> 14/8 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 14/8 atom(s)
closure: normalised raw soft-core 12/7 -> 14/9 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 14/9 atom(s)
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 1: absorbed 4 core atom(s) [31, 32, 33, 34] stranded behind the soft-core
iter 1 side 2: absorbed 4 core atom(s) [37, 38, 39, 40] stranded behind the soft-core
final: 1/1 region(s), soft-core 7/13 atom(s)
closure: normalised raw soft-core 10/8 -> 11/9 atoms
initial: 1 soft-core region(s) on side 1, 1 on side 2
final: 1/1 region(s), soft-core 11/9 atom(s)
initial: 3 soft-core region(s) on side 1, 3 on side 2
iter 1 side 1: bridged 3 regions by demoting 1 atom(s) [19] [steiner:approximate]
iter 1 side 2: bridged 3 regions by demoting 1 atom(s) [19] [steiner:approximate]
final: 1/1 region(s), soft-core 13/11 atom(s)
initial: 2 soft-core region(s) on side 1, 2 on side 2
iter 1 side 1: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 2: bridged 2 regions by demoting 1 atom(s) [19]
iter 1 side 1: absorbed 1 core atom(s) [29] stranded behind the soft-core
iter 1 side 2: absorbed 1 core atom(s) [29] stranded behind the soft-core
final: 1/1 region(s), soft-core 10/11 atom(s)