synkit 1.6.5__py3-none-win_amd64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (636) hide show
  1. synkit/CRN/Benchmark/__init__.py +53 -0
  2. synkit/CRN/Benchmark/crosschecks.py +13 -0
  3. synkit/CRN/Benchmark/kegg.py +12 -0
  4. synkit/CRN/Benchmark/networks.py +13 -0
  5. synkit/CRN/Benchmark/scaling.py +13 -0
  6. synkit/CRN/Benchmark/validate.py +13 -0
  7. synkit/CRN/Construct/__init__.py +16 -0
  8. synkit/CRN/Construct/abstract.py +668 -0
  9. synkit/CRN/Construct/arity.py +36 -0
  10. synkit/CRN/Construct/builder.py +619 -0
  11. synkit/CRN/Construct/derivation.py +63 -0
  12. synkit/CRN/Construct/flattener.py +100 -0
  13. synkit/CRN/Construct/keys.py +14 -0
  14. synkit/CRN/Construct/mixtures.py +117 -0
  15. synkit/CRN/Construct/rdkit_worker.py +69 -0
  16. synkit/CRN/Construct/smiles.py +99 -0
  17. synkit/CRN/Construct/state.py +31 -0
  18. synkit/CRN/Construct/strategy.py +75 -0
  19. synkit/CRN/Construct/worker.py +42 -0
  20. synkit/CRN/IO/__init__.py +36 -0
  21. synkit/CRN/IO/sbml.py +925 -0
  22. synkit/CRN/Pathway/__init__.py +72 -0
  23. synkit/CRN/Pathway/_adapter.py +333 -0
  24. synkit/CRN/Pathway/pathfinder.py +500 -0
  25. synkit/CRN/Pathway/reachability.py +796 -0
  26. synkit/CRN/Pathway/realizability.py +1322 -0
  27. synkit/CRN/Petrinet/__init__.py +93 -0
  28. synkit/CRN/Petrinet/analyzer.py +486 -0
  29. synkit/CRN/Petrinet/minimal_semiflows.py +436 -0
  30. synkit/CRN/Petrinet/net.py +1041 -0
  31. synkit/CRN/Petrinet/persistence.py +97 -0
  32. synkit/CRN/Petrinet/semiflows.py +483 -0
  33. synkit/CRN/Petrinet/siphon_search.py +402 -0
  34. synkit/CRN/Petrinet/structure.py +286 -0
  35. synkit/CRN/Props/__init__.py +130 -0
  36. synkit/CRN/Props/_rank.py +29 -0
  37. synkit/CRN/Props/deficiency.py +953 -0
  38. synkit/CRN/Props/dynamics.py +832 -0
  39. synkit/CRN/Props/helper.py +151 -0
  40. synkit/CRN/Props/stoich.py +751 -0
  41. synkit/CRN/Props/thermo.py +584 -0
  42. synkit/CRN/Query/__init__.py +66 -0
  43. synkit/CRN/Query/cache.py +41 -0
  44. synkit/CRN/Query/kegg_api.py +99 -0
  45. synkit/CRN/Query/kegg_extract.py +714 -0
  46. synkit/CRN/Query/kegg_impute.py +707 -0
  47. synkit/CRN/Query/kegg_parse.py +480 -0
  48. synkit/CRN/Query/to_syncrn.py +290 -0
  49. synkit/CRN/README.md +234 -0
  50. synkit/CRN/Structure/__init__.py +12 -0
  51. synkit/CRN/Structure/_graph_io.py +713 -0
  52. synkit/CRN/Structure/_matrices.py +88 -0
  53. synkit/CRN/Structure/_parse.py +544 -0
  54. synkit/CRN/Structure/reaction.py +237 -0
  55. synkit/CRN/Structure/rule.py +55 -0
  56. synkit/CRN/Structure/species.py +46 -0
  57. synkit/CRN/Structure/syncrn.py +929 -0
  58. synkit/CRN/Symmetry/__init__.py +20 -0
  59. synkit/CRN/Symmetry/_common.py +1059 -0
  60. synkit/CRN/Symmetry/_ir.py +940 -0
  61. synkit/CRN/Symmetry/automorphism.py +472 -0
  62. synkit/CRN/Symmetry/canon.py +441 -0
  63. synkit/CRN/Symmetry/isomorphism.py +412 -0
  64. synkit/CRN/Symmetry/symmetry.py +61 -0
  65. synkit/CRN/Symmetry/wl_canon.py +967 -0
  66. synkit/CRN/Visualize/__init__.py +11 -0
  67. synkit/CRN/Visualize/labels.py +113 -0
  68. synkit/CRN/Visualize/layout.py +708 -0
  69. synkit/CRN/Visualize/palette.py +292 -0
  70. synkit/CRN/Visualize/validation.py +122 -0
  71. synkit/CRN/Visualize/vis.py +1152 -0
  72. synkit/CRN/__init__.py +233 -0
  73. synkit/CRN/_build.py +50 -0
  74. synkit/CRN/_native_build.py +175 -0
  75. synkit/CRN/analysis.py +629 -0
  76. synkit/CRN/backend.py +74 -0
  77. synkit/CRN/cpp/CMakeLists.txt +58 -0
  78. synkit/CRN/cpp/algebra.cpp +46 -0
  79. synkit/CRN/cpp/closure.cpp +29 -0
  80. synkit/CRN/cpp/exact.h +55 -0
  81. synkit/CRN/cpp/pathway.cpp +46 -0
  82. synkit/CRN/cpp/semiflows.cpp +209 -0
  83. synkit/CRN/cpp/structural.cpp +240 -0
  84. synkit/CRN/cpp/symmetry.cpp +45 -0
  85. synkit/CRN/cpp/write_manifest.cmake +28 -0
  86. synkit/CRN/kinds.py +137 -0
  87. synkit/CRN/lib/synkit_crn.dll +0 -0
  88. synkit/CRN/lib/synkit_crn.json +33 -0
  89. synkit/CRN/native.py +388 -0
  90. synkit/CRN/native_analysis.py +459 -0
  91. synkit/Chem/Cluster/__init__.py +0 -0
  92. synkit/Chem/Cluster/butina.py +140 -0
  93. synkit/Chem/Fingerprint/__init__.py +0 -0
  94. synkit/Chem/Fingerprint/fp_calculator.py +155 -0
  95. synkit/Chem/Fingerprint/smiles_featurizer.py +258 -0
  96. synkit/Chem/Fingerprint/transformation_fp.py +139 -0
  97. synkit/Chem/Mapper/README.rst +43 -0
  98. synkit/Chem/Mapper/__init__.py +255 -0
  99. synkit/Chem/Mapper/_compat.py +130 -0
  100. synkit/Chem/Mapper/adapters/__init__.py +1 -0
  101. synkit/Chem/Mapper/adapters/prediction.py +126 -0
  102. synkit/Chem/Mapper/adapters/template.py +412 -0
  103. synkit/Chem/Mapper/chem/__init__.py +52 -0
  104. synkit/Chem/Mapper/chem/aam.py +673 -0
  105. synkit/Chem/Mapper/chem/blind.py +160 -0
  106. synkit/Chem/Mapper/chem/its.py +309 -0
  107. synkit/Chem/Mapper/chem/smiles.py +564 -0
  108. synkit/Chem/Mapper/graph/__init__.py +66 -0
  109. synkit/Chem/Mapper/graph/automorphism.py +395 -0
  110. synkit/Chem/Mapper/graph/blockcut.py +98 -0
  111. synkit/Chem/Mapper/graph/labeled_graph.py +104 -0
  112. synkit/Chem/Mapper/graph/refine.py +176 -0
  113. synkit/Chem/Mapper/graph/synkit_adapter.py +110 -0
  114. synkit/Chem/Mapper/io/__init__.py +13 -0
  115. synkit/Chem/Mapper/io/idxmapstr.py +82 -0
  116. synkit/Chem/Mapper/mapper.py +685 -0
  117. synkit/Chem/Mapper/reaction_search.py +554 -0
  118. synkit/Chem/Mapper/reporting/__init__.py +1 -0
  119. synkit/Chem/Mapper/reporting/alternatives.py +451 -0
  120. synkit/Chem/Mapper/reporting/analysis.py +681 -0
  121. synkit/Chem/Mapper/reporting/native_analysis.py +485 -0
  122. synkit/Chem/Mapper/reporting/spectrum.py +642 -0
  123. synkit/Chem/Mapper/solvers/__init__.py +1 -0
  124. synkit/Chem/Mapper/solvers/exact/__init__.py +141 -0
  125. synkit/Chem/Mapper/solvers/exact/assignment/__init__.py +1 -0
  126. synkit/Chem/Mapper/solvers/exact/assignment/assignment_certificate.py +113 -0
  127. synkit/Chem/Mapper/solvers/exact/assignment/assignment_domains.py +162 -0
  128. synkit/Chem/Mapper/solvers/exact/assignment/assignment_verification.py +58 -0
  129. synkit/Chem/Mapper/solvers/exact/assignment/incremental_assignment.py +247 -0
  130. synkit/Chem/Mapper/solvers/exact/certificate.py +128 -0
  131. synkit/Chem/Mapper/solvers/exact/core.py +183 -0
  132. synkit/Chem/Mapper/solvers/exact/distance_search/__init__.py +1 -0
  133. synkit/Chem/Mapper/solvers/exact/distance_search/bounds.py +319 -0
  134. synkit/Chem/Mapper/solvers/exact/distance_search/exhaustive.py +179 -0
  135. synkit/Chem/Mapper/solvers/exact/distance_search/inputs.py +283 -0
  136. synkit/Chem/Mapper/solvers/exact/distance_search/records.py +242 -0
  137. synkit/Chem/Mapper/solvers/exact/distance_search/search.py +1025 -0
  138. synkit/Chem/Mapper/solvers/exact/distance_search/verify.py +378 -0
  139. synkit/Chem/Mapper/solvers/exact/edit_support.py +375 -0
  140. synkit/Chem/Mapper/solvers/exact/hybrid.py +224 -0
  141. synkit/Chem/Mapper/solvers/exact/hydrogen.py +264 -0
  142. synkit/Chem/Mapper/solvers/exact/kernel_solvers/__init__.py +1 -0
  143. synkit/Chem/Mapper/solvers/exact/kernel_solvers/branching.py +499 -0
  144. synkit/Chem/Mapper/solvers/exact/kernel_solvers/enumerate.py +1050 -0
  145. synkit/Chem/Mapper/solvers/exact/kernel_solvers/enumeration_result.py +30 -0
  146. synkit/Chem/Mapper/solvers/exact/kernel_solvers/kernel.py +256 -0
  147. synkit/Chem/Mapper/solvers/exact/kernel_solvers/milp.py +194 -0
  148. synkit/Chem/Mapper/solvers/exact/native/__init__.py +1 -0
  149. synkit/Chem/Mapper/solvers/exact/native/build.py +154 -0
  150. synkit/Chem/Mapper/solvers/exact/native/candidates.py +593 -0
  151. synkit/Chem/Mapper/solvers/exact/native/canonical.py +396 -0
  152. synkit/Chem/Mapper/solvers/exact/native/disk_frontier.py +415 -0
  153. synkit/Chem/Mapper/solvers/exact/native/frontier.py +390 -0
  154. synkit/Chem/Mapper/solvers/exact/native/hydrogen_quotient.py +213 -0
  155. synkit/Chem/Mapper/solvers/exact/native/its.py +528 -0
  156. synkit/Chem/Mapper/solvers/exact/native/native_distance.cpp +2803 -0
  157. synkit/Chem/Mapper/solvers/exact/native/orbit_aggregation.py +328 -0
  158. synkit/Chem/Mapper/solvers/exact/native/parallel.py +205 -0
  159. synkit/Chem/Mapper/solvers/exact/native/pmcd.py +203 -0
  160. synkit/Chem/Mapper/solvers/exact/native/runtime.py +40 -0
  161. synkit/Chem/Mapper/solvers/exact/native/search.py +294 -0
  162. synkit/Chem/Mapper/solvers/exact/native/separator.py +224 -0
  163. synkit/Chem/Mapper/solvers/exact/native_build.py +12 -0
  164. synkit/Chem/Mapper/solvers/exact/pabs/__init__.py +1 -0
  165. synkit/Chem/Mapper/solvers/exact/pabs/cost_lattice.py +43 -0
  166. synkit/Chem/Mapper/solvers/exact/pabs/factor_spectrum.py +110 -0
  167. synkit/Chem/Mapper/solvers/exact/pabs/multi_shell.py +368 -0
  168. synkit/Chem/Mapper/solvers/exact/pabs/propagation.py +679 -0
  169. synkit/Chem/Mapper/solvers/exact/pabs/propagation_bounds.py +436 -0
  170. synkit/Chem/Mapper/solvers/exact/pabs/propagation_limits.py +13 -0
  171. synkit/Chem/Mapper/solvers/exact/pabs/propagation_search.py +856 -0
  172. synkit/Chem/Mapper/solvers/exact/pabs/propagation_symmetry.py +66 -0
  173. synkit/Chem/Mapper/solvers/exact/pabs/residual_typed_bonds.py +136 -0
  174. synkit/Chem/Mapper/solvers/exact/pabs/reward_frontier.py +201 -0
  175. synkit/Chem/Mapper/solvers/exact/pabs/separator_bound.py +258 -0
  176. synkit/Chem/Mapper/solvers/exact/pabs/separator_spectrum.py +308 -0
  177. synkit/Chem/Mapper/solvers/exact/pabs/sparse_reward_bound.py +207 -0
  178. synkit/Chem/Mapper/solvers/exact/pabs/suffix_spectrum.py +299 -0
  179. synkit/Chem/Mapper/solvers/exact/search.py +55 -0
  180. synkit/Chem/Mapper/solvers/exact/seeds/__init__.py +1 -0
  181. synkit/Chem/Mapper/solvers/exact/seeds/seed.py +104 -0
  182. synkit/Chem/Mapper/solvers/exact/seeds/seed_fragments.py +148 -0
  183. synkit/Chem/Mapper/solvers/exact/seeds/seed_relaxation.py +181 -0
  184. synkit/Chem/Mapper/solvers/exact/symmetry.py +223 -0
  185. synkit/Chem/Mapper/solvers/native/__init__.py +4 -0
  186. synkit/Chem/Mapper/solvers/native/assignment.py +99 -0
  187. synkit/Chem/Mapper/solvers/native/astar.py +22 -0
  188. synkit/Chem/Mapper/solvers/native/build.py +385 -0
  189. synkit/Chem/Mapper/solvers/native/classification.py +641 -0
  190. synkit/Chem/Mapper/solvers/native/core.py +378 -0
  191. synkit/Chem/Mapper/solvers/native/cpp/CMakeLists.txt +120 -0
  192. synkit/Chem/Mapper/solvers/native/cpp/examples/map_reaction.cpp +29 -0
  193. synkit/Chem/Mapper/solvers/native/cpp/examples/slap_graph.cpp +63 -0
  194. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/assignment/assignment.h +18 -0
  195. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/astar/astar.h +18 -0
  196. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/astar/bound.h +33 -0
  197. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/core/pmcd_witness.h +16 -0
  198. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/core/runtime.h +130 -0
  199. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/hydrogen/hydrogen.h +73 -0
  200. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/mapper.h +175 -0
  201. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/mces/mces.h +9 -0
  202. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/pabs/seed.h +34 -0
  203. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/reaction/reaction.h +30 -0
  204. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/sepdp/sepdp.h +21 -0
  205. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/slap.h +72 -0
  206. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/solvers/solvers.h +16 -0
  207. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/symmetry/classification.h +140 -0
  208. synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/symmetry/cpabs.h +33 -0
  209. synkit/Chem/Mapper/solvers/native/cpp/src/assignment/abb.cpp +302 -0
  210. synkit/Chem/Mapper/solvers/native/cpp/src/astar/CMakeLists.txt +12 -0
  211. synkit/Chem/Mapper/solvers/native/cpp/src/astar/README.md +47 -0
  212. synkit/Chem/Mapper/solvers/native/cpp/src/astar/astar.cpp +228 -0
  213. synkit/Chem/Mapper/solvers/native/cpp/src/astar/astar_graph.cpp +37 -0
  214. synkit/Chem/Mapper/solvers/native/cpp/src/astar/bound.cpp +212 -0
  215. synkit/Chem/Mapper/solvers/native/cpp/src/core/dispatch.cpp +272 -0
  216. synkit/Chem/Mapper/solvers/native/cpp/src/core/pmcd_witness.cpp +36 -0
  217. synkit/Chem/Mapper/solvers/native/cpp/src/hydrogen/hydrogen.cpp +380 -0
  218. synkit/Chem/Mapper/solvers/native/cpp/src/mces/README.md +57 -0
  219. synkit/Chem/Mapper/solvers/native/cpp/src/mces/mces.cpp +287 -0
  220. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/bridge.cpp +334 -0
  221. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/chemical_floor.inc +181 -0
  222. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/endpoint_symmetry.inc +104 -0
  223. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/exact_helpers.h +20 -0
  224. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_assignment_certificate.h +165 -0
  225. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_certificate.h +125 -0
  226. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_model.h +365 -0
  227. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_provider.inc +319 -0
  228. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_rounding.inc +170 -0
  229. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_test_hooks.h +342 -0
  230. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/objective_reduction.inc +137 -0
  231. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/overlap_dual.inc +351 -0
  232. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/profile_seed.inc +214 -0
  233. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/seed_heuristics.inc +640 -0
  234. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/sparse_embedding.cpp +430 -0
  235. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/sparse_root_lp.h +176 -0
  236. synkit/Chem/Mapper/solvers/native/cpp/src/pabs/test_hooks.inc +262 -0
  237. synkit/Chem/Mapper/solvers/native/cpp/src/reaction/reaction.cpp +611 -0
  238. synkit/Chem/Mapper/solvers/native/cpp/src/sepdp/README.md +61 -0
  239. synkit/Chem/Mapper/solvers/native/cpp/src/sepdp/sepdp.cpp +253 -0
  240. synkit/Chem/Mapper/solvers/native/cpp/src/slap.cpp +810 -0
  241. synkit/Chem/Mapper/solvers/native/cpp/src/solvers/formulation.h +138 -0
  242. synkit/Chem/Mapper/solvers/native/cpp/src/solvers/maxsat.cpp +526 -0
  243. synkit/Chem/Mapper/solvers/native/cpp/src/solvers/ortools.cpp +475 -0
  244. synkit/Chem/Mapper/solvers/native/cpp/src/solvers/seed.h +80 -0
  245. synkit/Chem/Mapper/solvers/native/cpp/src/solvers/weighted_cnf.h +256 -0
  246. synkit/Chem/Mapper/solvers/native/cpp/src/supporting/README.md +43 -0
  247. synkit/Chem/Mapper/solvers/native/cpp/src/supporting/dfs.cpp +123 -0
  248. synkit/Chem/Mapper/solvers/native/cpp/src/supporting/edit_support.cpp +224 -0
  249. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification.cpp +553 -0
  250. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification_pipeline.cpp +124 -0
  251. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification_stream.h +13 -0
  252. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/cpabs.cpp +455 -0
  253. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/edge_deck.cpp +743 -0
  254. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/COPYRIGHT +44 -0
  255. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/LICENSE-2.0.txt +202 -0
  256. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naugraph.c +732 -0
  257. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naurng.c +94 -0
  258. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naurng.h +49 -0
  259. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nausparse.c +1771 -0
  260. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nausparse.h +133 -0
  261. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nautil.c +750 -0
  262. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naututil.h +355 -0
  263. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nauty.c +1256 -0
  264. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nauty.h +1544 -0
  265. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/schreier.c +1131 -0
  266. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/schreier.h +70 -0
  267. synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/sorttemplates.c +580 -0
  268. synkit/Chem/Mapper/solvers/native/hydrogen.py +711 -0
  269. synkit/Chem/Mapper/solvers/native/implicit.py +506 -0
  270. synkit/Chem/Mapper/solvers/native/implicit_certificate.py +187 -0
  271. synkit/Chem/Mapper/solvers/native/implicit_preparation.py +309 -0
  272. synkit/Chem/Mapper/solvers/native/lib/synkit_mapper.dll +0 -0
  273. synkit/Chem/Mapper/solvers/native/mces.py +16 -0
  274. synkit/Chem/Mapper/solvers/native/reaction.py +179 -0
  275. synkit/Chem/Mapper/solvers/native/reaction_build.py +277 -0
  276. synkit/Chem/Mapper/solvers/native/reaction_text.py +26 -0
  277. synkit/Chem/Mapper/solvers/native/runtime.py +242 -0
  278. synkit/Chem/Mapper/solvers/native/sepdp.py +47 -0
  279. synkit/Chem/Mapper/solvers/native/slap.py +266 -0
  280. synkit/Chem/Mapper/solvers/native/solvers.py +67 -0
  281. synkit/Chem/Mapper/solvers/native/stereo.py +86 -0
  282. synkit/Chem/Mapper/solvers/native/supporting.py +34 -0
  283. synkit/Chem/Mapper/solvers/native/symmetry.py +91 -0
  284. synkit/Chem/Mapper/solvers/slap/__init__.py +29 -0
  285. synkit/Chem/Mapper/solvers/slap/lap.py +174 -0
  286. synkit/Chem/Mapper/solvers/slap/sequential.py +696 -0
  287. synkit/Chem/Mapper/validation/__init__.py +1 -0
  288. synkit/Chem/Mapper/validation/aam_validator.py +442 -0
  289. synkit/Chem/Mapper/validation/annotations.py +274 -0
  290. synkit/Chem/Mapper/validation/bonds.py +124 -0
  291. synkit/Chem/Mapper/validation/cohorts.py +72 -0
  292. synkit/Chem/Mapper/validation/identifiability.py +150 -0
  293. synkit/Chem/Mapper/validation/numerical_scope.py +36 -0
  294. synkit/Chem/Mapper/validation/orbits.py +137 -0
  295. synkit/Chem/Molecule/__init__.py +0 -0
  296. synkit/Chem/Molecule/_chirality_loci.py +165 -0
  297. synkit/Chem/Molecule/_chirality_types.py +231 -0
  298. synkit/Chem/Molecule/_helical_loci.py +167 -0
  299. synkit/Chem/Molecule/_stereo_axis_evidence.py +202 -0
  300. synkit/Chem/Molecule/_stereo_element_detection.py +193 -0
  301. synkit/Chem/Molecule/_stereo_orientation_constraints.py +511 -0
  302. synkit/Chem/Molecule/_tetrahedral_carriers.py +63 -0
  303. synkit/Chem/Molecule/atom_features.py +379 -0
  304. synkit/Chem/Molecule/chirality.py +1041 -0
  305. synkit/Chem/Molecule/cip_assignment.py +569 -0
  306. synkit/Chem/Molecule/cip_ranking.py +843 -0
  307. synkit/Chem/Molecule/coordinate_stereo.py +503 -0
  308. synkit/Chem/Molecule/derived_stereo_naming.py +165 -0
  309. synkit/Chem/Molecule/descriptors.py +452 -0
  310. synkit/Chem/Molecule/formula.py +249 -0
  311. synkit/Chem/Molecule/global_stereo.py +175 -0
  312. synkit/Chem/Molecule/graph_annotator.py +300 -0
  313. synkit/Chem/Molecule/standardize.py +817 -0
  314. synkit/Chem/Molecule/stereo_evidence.py +179 -0
  315. synkit/Chem/Molecule/stereo_perception.py +1032 -0
  316. synkit/Chem/Molecule/valence.py +123 -0
  317. synkit/Chem/Reaction/Mapper/__init__.py +44 -0
  318. synkit/Chem/Reaction/__init__.py +20 -0
  319. synkit/Chem/Reaction/aam_validator.py +5 -0
  320. synkit/Chem/Reaction/balance_check.py +138 -0
  321. synkit/Chem/Reaction/canon_rsmi.py +249 -0
  322. synkit/Chem/Reaction/cleaning.py +58 -0
  323. synkit/Chem/Reaction/deionize.py +199 -0
  324. synkit/Chem/Reaction/explicit_h_audit.py +232 -0
  325. synkit/Chem/Reaction/fix_aam.py +64 -0
  326. synkit/Chem/Reaction/neutralize.py +207 -0
  327. synkit/Chem/Reaction/radical_wildcard.py +224 -0
  328. synkit/Chem/Reaction/standardize.py +203 -0
  329. synkit/Chem/Reaction/tautomerize.py +205 -0
  330. synkit/Chem/__init__.py +1 -0
  331. synkit/Chem/utils.py +315 -0
  332. synkit/Data/__init__.py +0 -0
  333. synkit/Data/aldol.json.gz +1 -0
  334. synkit/Data/gen_partial_aam.py +147 -0
  335. synkit/Data/paracetamol.json.gz +1 -0
  336. synkit/Graph/Canon/__init__.py +16 -0
  337. synkit/Graph/Canon/_native/__init__.py +13 -0
  338. synkit/Graph/Canon/_native/build.py +93 -0
  339. synkit/Graph/Canon/_native/lib/synkit_canon.dll +0 -0
  340. synkit/Graph/Canon/_native/prepare.py +49 -0
  341. synkit/Graph/Canon/_native/runtime.py +140 -0
  342. synkit/Graph/Canon/_native/search.py +137 -0
  343. synkit/Graph/Canon/canon_algs.py +228 -0
  344. synkit/Graph/Canon/canon_graph.py +531 -0
  345. synkit/Graph/Canon/cpp/CMakeLists.txt +42 -0
  346. synkit/Graph/Canon/cpp/README.md +123 -0
  347. synkit/Graph/Canon/cpp/examples/canonical_graph.cpp +16 -0
  348. synkit/Graph/Canon/cpp/include/synkit_canon/canon.h +85 -0
  349. synkit/Graph/Canon/cpp/src/canonical.cpp +391 -0
  350. synkit/Graph/Canon/cpp/src/symmetry.h +83 -0
  351. synkit/Graph/Canon/cpp/tests/symmetry.cpp +93 -0
  352. synkit/Graph/Canon/exact.py +1020 -0
  353. synkit/Graph/Canon/exact_refinement.py +368 -0
  354. synkit/Graph/Canon/nauty.py +143 -0
  355. synkit/Graph/Context/__init__.py +0 -0
  356. synkit/Graph/Context/hier_context.py +244 -0
  357. synkit/Graph/Context/radius_expand.py +252 -0
  358. synkit/Graph/FG/__init__.py +19 -0
  359. synkit/Graph/FG/api.py +39 -0
  360. synkit/Graph/FG/audit.py +155 -0
  361. synkit/Graph/FG/catalog.py +919 -0
  362. synkit/Graph/FG/detector.py +288 -0
  363. synkit/Graph/FG/model.py +97 -0
  364. synkit/Graph/FG/recognizers.py +274 -0
  365. synkit/Graph/FG/ring_system.py +154 -0
  366. synkit/Graph/Feature/Descriptors/topology.py +857 -0
  367. synkit/Graph/Feature/Fingerprint/__init__.py +0 -0
  368. synkit/Graph/Feature/Fingerprint/wl_rxn_fps.py +222 -0
  369. synkit/Graph/Feature/__init__.py +5 -0
  370. synkit/Graph/Feature/graph_descriptors.py +323 -0
  371. synkit/Graph/Feature/graph_fps.py +96 -0
  372. synkit/Graph/Feature/graph_signature.py +239 -0
  373. synkit/Graph/Feature/hash_fps.py +133 -0
  374. synkit/Graph/Feature/morgan_fps.py +88 -0
  375. synkit/Graph/Feature/path_fps.py +81 -0
  376. synkit/Graph/Feature/wl_hash.py +134 -0
  377. synkit/Graph/Fusion/__init__.py +85 -0
  378. synkit/Graph/Fusion/candidate.py +559 -0
  379. synkit/Graph/Fusion/constructor.py +877 -0
  380. synkit/Graph/Fusion/identity.py +184 -0
  381. synkit/Graph/Fusion/interface.py +700 -0
  382. synkit/Graph/Fusion/search.py +241 -0
  383. synkit/Graph/Hyrogen/__init__.py +6 -0
  384. synkit/Graph/Hyrogen/_misc.py +591 -0
  385. synkit/Graph/Hyrogen/hcomplete.py +995 -0
  386. synkit/Graph/Hyrogen/hcomplete_legacy.py +368 -0
  387. synkit/Graph/Hyrogen/hcompletion_algorithms.py +713 -0
  388. synkit/Graph/Hyrogen/hextend.py +570 -0
  389. synkit/Graph/Hyrogen/hextend_legacy.py +215 -0
  390. synkit/Graph/ITS/__init__.py +4 -0
  391. synkit/Graph/ITS/its_builder.py +120 -0
  392. synkit/Graph/ITS/its_construction.py +719 -0
  393. synkit/Graph/ITS/its_decompose.py +572 -0
  394. synkit/Graph/ITS/its_destruction.py +331 -0
  395. synkit/Graph/ITS/its_expand.py +1251 -0
  396. synkit/Graph/ITS/its_relabel.py +187 -0
  397. synkit/Graph/ITS/its_reverter.py +356 -0
  398. synkit/Graph/ITS/normalize_aam.py +145 -0
  399. synkit/Graph/ITS/partial_its.py +238 -0
  400. synkit/Graph/ITS/rc_extractor.py +656 -0
  401. synkit/Graph/ITS/stereo.py +74 -0
  402. synkit/Graph/MTG/__init__.py +107 -0
  403. synkit/Graph/MTG/gluing.py +451 -0
  404. synkit/Graph/MTG/history.py +928 -0
  405. synkit/Graph/MTG/inventory.py +118 -0
  406. synkit/Graph/MTG/local.py +447 -0
  407. synkit/Graph/MTG/mcs_matcher.py +246 -0
  408. synkit/Graph/MTG/mtg.py +611 -0
  409. synkit/Graph/MTG/mtg_explore.py +74 -0
  410. synkit/Graph/MTG/observation.py +209 -0
  411. synkit/Graph/MTG/process.py +577 -0
  412. synkit/Graph/MTG/queries.py +66 -0
  413. synkit/Graph/MTG/realization.py +95 -0
  414. synkit/Graph/MTG/series_parallel.py +107 -0
  415. synkit/Graph/MTG/utils.py +424 -0
  416. synkit/Graph/Matcher/__init__.py +10 -0
  417. synkit/Graph/Matcher/approx_mcs.py +1264 -0
  418. synkit/Graph/Matcher/auto_est.py +736 -0
  419. synkit/Graph/Matcher/automorphism.py +314 -0
  420. synkit/Graph/Matcher/batch_cluster.py +224 -0
  421. synkit/Graph/Matcher/dedup_matches.py +247 -0
  422. synkit/Graph/Matcher/graph_cluster.py +191 -0
  423. synkit/Graph/Matcher/graph_matcher.py +312 -0
  424. synkit/Graph/Matcher/graph_morphism.py +421 -0
  425. synkit/Graph/Matcher/mcs_matcher.py +804 -0
  426. synkit/Graph/Matcher/multi_turbo_iso.py +186 -0
  427. synkit/Graph/Matcher/orbit.py +284 -0
  428. synkit/Graph/Matcher/partial_matcher.py +694 -0
  429. synkit/Graph/Matcher/sing.py +544 -0
  430. synkit/Graph/Matcher/subgraph_matcher.py +812 -0
  431. synkit/Graph/Matcher/turbo_iso.py +272 -0
  432. synkit/Graph/Matcher/wl_sel.py +537 -0
  433. synkit/Graph/Mech/__init__.py +26 -0
  434. synkit/Graph/Mech/conversion.py +1466 -0
  435. synkit/Graph/Mech/conversion_debug.py +237 -0
  436. synkit/Graph/Mech/electron_accounting.py +200 -0
  437. synkit/Graph/Mech/lwg_editor.py +406 -0
  438. synkit/Graph/Mech/lwg_ops.py +313 -0
  439. synkit/Graph/Morphism/__init__.py +99 -0
  440. synkit/Graph/Morphism/constraints.py +460 -0
  441. synkit/Graph/Morphism/llg.py +999 -0
  442. synkit/Graph/Morphism/morphism.py +349 -0
  443. synkit/Graph/Morphism/stereo.py +258 -0
  444. synkit/Graph/Morphism/stereo_morphism.py +383 -0
  445. synkit/Graph/Morphism/stereo_morphism_helpers.py +957 -0
  446. synkit/Graph/Morphism/stereo_morphism_types.py +117 -0
  447. synkit/Graph/Stereo/__init__.py +376 -0
  448. synkit/Graph/Stereo/_descriptor_core.py +207 -0
  449. synkit/Graph/Stereo/_descriptor_serialization.py +138 -0
  450. synkit/Graph/Stereo/canonical.py +648 -0
  451. synkit/Graph/Stereo/changes.py +964 -0
  452. synkit/Graph/Stereo/composition.py +391 -0
  453. synkit/Graph/Stereo/configured.py +946 -0
  454. synkit/Graph/Stereo/couplings.py +245 -0
  455. synkit/Graph/Stereo/descriptors.py +1030 -0
  456. synkit/Graph/Stereo/enumeration.py +597 -0
  457. synkit/Graph/Stereo/extended_descriptors.py +406 -0
  458. synkit/Graph/Stereo/global_configured.py +152 -0
  459. synkit/Graph/Stereo/global_stereo.py +304 -0
  460. synkit/Graph/Stereo/identity.py +648 -0
  461. synkit/Graph/Stereo/interchange.py +496 -0
  462. synkit/Graph/Stereo/legacy.py +460 -0
  463. synkit/Graph/Stereo/matching.py +899 -0
  464. synkit/Graph/Stereo/native.py +154 -0
  465. synkit/Graph/Stereo/orbits.py +668 -0
  466. synkit/Graph/Stereo/outcomes.py +99 -0
  467. synkit/Graph/Stereo/pairwise.py +350 -0
  468. synkit/Graph/Stereo/rdkit_adapter.py +662 -0
  469. synkit/Graph/Stereo/rdkit_identity.py +118 -0
  470. synkit/Graph/Stereo/rdkit_resonance.py +140 -0
  471. synkit/Graph/Stereo/reaction_interchange.py +266 -0
  472. synkit/Graph/Stereo/semantics.py +296 -0
  473. synkit/Graph/Stereo/supports.py +257 -0
  474. synkit/Graph/Stereo/wire.py +339 -0
  475. synkit/Graph/Wildcard/__init__.py +0 -0
  476. synkit/Graph/Wildcard/fuse_graph.py +156 -0
  477. synkit/Graph/Wildcard/graph_wc.py +303 -0
  478. synkit/Graph/Wildcard/its_merge.py +857 -0
  479. synkit/Graph/Wildcard/radwc.py +114 -0
  480. synkit/Graph/Wildcard/wc_matcher.py +576 -0
  481. synkit/Graph/Wildcard/wildcard.py +225 -0
  482. synkit/Graph/__init__.py +17 -0
  483. synkit/Graph/canon_graph.py +14 -0
  484. synkit/Graph/syn_graph.py +199 -0
  485. synkit/Graph/utils.py +324 -0
  486. synkit/IO/__init__.py +4 -0
  487. synkit/IO/chem_converter.py +1059 -0
  488. synkit/IO/combinatorial/__init__.py +8 -0
  489. synkit/IO/combinatorial/gml_to_graph.py +223 -0
  490. synkit/IO/combinatorial/graph_to_gml.py +280 -0
  491. synkit/IO/combinatorial/graph_to_smarts.py +186 -0
  492. synkit/IO/combinatorial/smarts_expander.py +147 -0
  493. synkit/IO/combinatorial/smarts_generalizer.py +133 -0
  494. synkit/IO/combinatorial/smarts_to_graph.py +179 -0
  495. synkit/IO/conversion.py +42 -0
  496. synkit/IO/data_io.py +269 -0
  497. synkit/IO/data_process.py +143 -0
  498. synkit/IO/debug.py +73 -0
  499. synkit/IO/gml_to_nx.py +150 -0
  500. synkit/IO/graph_to_mol.py +199 -0
  501. synkit/IO/mol_to_graph.py +1105 -0
  502. synkit/IO/mol_to_graph_chemistry.py +545 -0
  503. synkit/IO/nx_to_gml.py +209 -0
  504. synkit/IO/smiles_to_id.py +123 -0
  505. synkit/Mechanism/__init__.py +151 -0
  506. synkit/Mechanism/adapters.py +136 -0
  507. synkit/Mechanism/audit.py +323 -0
  508. synkit/Mechanism/benchmark.py +638 -0
  509. synkit/Mechanism/compatibility.py +13 -0
  510. synkit/Mechanism/drawing.py +85 -0
  511. synkit/Mechanism/electron_models.py +725 -0
  512. synkit/Mechanism/equivalence.py +521 -0
  513. synkit/Mechanism/evidence.py +262 -0
  514. synkit/Mechanism/interchange.py +141 -0
  515. synkit/Mechanism/model.py +918 -0
  516. synkit/Mechanism/neighbor_stereo.py +312 -0
  517. synkit/Mechanism/radical_data.py +740 -0
  518. synkit/Mechanism/replay.py +986 -0
  519. synkit/Mechanism/schema.py +264 -0
  520. synkit/Mechanism/stereo_state.py +416 -0
  521. synkit/Mechanism/symbols.py +91 -0
  522. synkit/Rule/Apply/__init__.py +35 -0
  523. synkit/Rule/Apply/conditions.py +45 -0
  524. synkit/Rule/Apply/dpo.py +998 -0
  525. synkit/Rule/Apply/rule_matcher.py +218 -0
  526. synkit/Rule/Apply/validation.py +354 -0
  527. synkit/Rule/Compose/__init__.py +106 -0
  528. synkit/Rule/Compose/_identity.py +43 -0
  529. synkit/Rule/Compose/composition.py +976 -0
  530. synkit/Rule/Compose/laws.py +439 -0
  531. synkit/Rule/Compose/search.py +771 -0
  532. synkit/Rule/Compose/synrule.py +170 -0
  533. synkit/Rule/Modify/__init__.py +0 -0
  534. synkit/Rule/Modify/implict_rule.py +56 -0
  535. synkit/Rule/Modify/longest_path.py +92 -0
  536. synkit/Rule/Modify/molecule_rule.py +115 -0
  537. synkit/Rule/Modify/prune_templates.py +78 -0
  538. synkit/Rule/Modify/rule_utils.py +194 -0
  539. synkit/Rule/Modify/strip_rule.py +97 -0
  540. synkit/Rule/__init__.py +28 -0
  541. synkit/Rule/generic_stereo.py +884 -0
  542. synkit/Rule/stereo_identity.py +271 -0
  543. synkit/Rule/syn_rule.py +1090 -0
  544. synkit/Synthesis/MSR/__init__.py +0 -0
  545. synkit/Synthesis/MSR/path_finder.py +239 -0
  546. synkit/Synthesis/Metrics/__init__.py +0 -0
  547. synkit/Synthesis/Metrics/_base.py +52 -0
  548. synkit/Synthesis/Metrics/_plot.py +129 -0
  549. synkit/Synthesis/Metrics/_ranking.py +179 -0
  550. synkit/Synthesis/RBL/__init__.py +80 -0
  551. synkit/Synthesis/RBL/engine.py +1249 -0
  552. synkit/Synthesis/RBL/matching.py +652 -0
  553. synkit/Synthesis/RBL/overlap.py +336 -0
  554. synkit/Synthesis/RBL/pipeline.py +376 -0
  555. synkit/Synthesis/RBL/policy.py +139 -0
  556. synkit/Synthesis/RBL/proof.py +370 -0
  557. synkit/Synthesis/RBL/reaction.py +506 -0
  558. synkit/Synthesis/RBL/state.py +169 -0
  559. synkit/Synthesis/RBL/validation.py +1060 -0
  560. synkit/Synthesis/Reactor/__init__.py +60 -0
  561. synkit/Synthesis/Reactor/core/__init__.py +1 -0
  562. synkit/Synthesis/Reactor/core/engine.py +967 -0
  563. synkit/Synthesis/Reactor/core/product.py +621 -0
  564. synkit/Synthesis/Reactor/core/rewrite.py +561 -0
  565. synkit/Synthesis/Reactor/core/strategy.py +44 -0
  566. synkit/Synthesis/Reactor/matching/__init__.py +1 -0
  567. synkit/Synthesis/Reactor/matching/mixin.py +920 -0
  568. synkit/Synthesis/Reactor/matching/policy.py +345 -0
  569. synkit/Synthesis/Reactor/matching/symmetry.py +309 -0
  570. synkit/Synthesis/Reactor/output/__init__.py +1 -0
  571. synkit/Synthesis/Reactor/output/deduplication.py +703 -0
  572. synkit/Synthesis/Reactor/output/policy.py +16 -0
  573. synkit/Synthesis/Reactor/output/serialization.py +485 -0
  574. synkit/Synthesis/Reactor/output/structural.py +893 -0
  575. synkit/Synthesis/Reactor/stereo/__init__.py +1 -0
  576. synkit/Synthesis/Reactor/stereo/assignment.py +35 -0
  577. synkit/Synthesis/Reactor/stereo/mixin.py +780 -0
  578. synkit/Synthesis/Reactor/variants/__init__.py +1 -0
  579. synkit/Synthesis/Reactor/variants/imbalanced.py +180 -0
  580. synkit/Synthesis/Reactor/variants/partial.py +84 -0
  581. synkit/Synthesis/Reactor/workflow/__init__.py +1 -0
  582. synkit/Synthesis/Reactor/workflow/batch.py +550 -0
  583. synkit/Synthesis/Reactor/workflow/benchmark.py +143 -0
  584. synkit/Synthesis/Reactor/workflow/postprocess.py +267 -0
  585. synkit/Synthesis/Reactor/workflow/rule_filter.py +210 -0
  586. synkit/Synthesis/__init__.py +0 -0
  587. synkit/Synthesis/reactor_utils.py +316 -0
  588. synkit/Utils/__init__.py +0 -0
  589. synkit/Utils/utils.py +172 -0
  590. synkit/Vis/__init__.py +91 -0
  591. synkit/Vis/crn/__init__.py +40 -0
  592. synkit/Vis/epd/__init__.py +20 -0
  593. synkit/Vis/epd/arrows.py +425 -0
  594. synkit/Vis/epd/chem.py +197 -0
  595. synkit/Vis/epd/constants.py +83 -0
  596. synkit/Vis/epd/layout.py +283 -0
  597. synkit/Vis/epd/mapping.py +51 -0
  598. synkit/Vis/epd/models.py +136 -0
  599. synkit/Vis/epd/render.py +543 -0
  600. synkit/Vis/epd/utils.py +108 -0
  601. synkit/Vis/epd/visualizer.py +811 -0
  602. synkit/Vis/graph_visualizer.py +375 -0
  603. synkit/Vis/its/__init__.py +19 -0
  604. synkit/Vis/its/drawer.py +615 -0
  605. synkit/Vis/its_drawer.py +35 -0
  606. synkit/Vis/molecule/__init__.py +31 -0
  607. synkit/Vis/molecule/drawer.py +563 -0
  608. synkit/Vis/molecule/reaction.py +285 -0
  609. synkit/Vis/molecule_drawer.py +33 -0
  610. synkit/Vis/mtg/__init__.py +17 -0
  611. synkit/Vis/mtg/drawer.py +769 -0
  612. synkit/Vis/mtg_drawer.py +34 -0
  613. synkit/Vis/pdf_writer.py +146 -0
  614. synkit/Vis/reaction/__init__.py +19 -0
  615. synkit/Vis/reaction/rule.py +141 -0
  616. synkit/Vis/reaction/rxn.py +532 -0
  617. synkit/Vis/reaction_drawer.py +41 -0
  618. synkit/Vis/space/__init__.py +17 -0
  619. synkit/Vis/space/chemical.py +80 -0
  620. synkit/Vis/space/embedding.py +87 -0
  621. synkit/Vis/vis_synedu/Vis/__init__.py +7 -0
  622. synkit/Vis/vis_synedu/Vis/dpo.py +862 -0
  623. synkit/Vis/vis_synedu/rxn_vis.py +377 -0
  624. synkit/Vis/vis_synedu/vis.py +501 -0
  625. synkit/Vis/visual_drawer.py +215 -0
  626. synkit/Vis/visual_model.py +520 -0
  627. synkit/__init__.py +3 -0
  628. synkit/_native.py +91 -0
  629. synkit/examples.py +50 -0
  630. synkit/version.py +23 -0
  631. synkit-1.6.5.dist-info/METADATA +156 -0
  632. synkit-1.6.5.dist-info/RECORD +636 -0
  633. synkit-1.6.5.dist-info/WHEEL +4 -0
  634. synkit-1.6.5.dist-info/licenses/LICENSE +21 -0
  635. synkit-1.6.5.dist-info/licenses/synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/COPYRIGHT +44 -0
  636. synkit-1.6.5.dist-info/licenses/synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/LICENSE-2.0.txt +202 -0
synkit-1.6.5.dist-info/RECORD ADDED
@@ -0,0 +1,636 @@
1
+ synkit/__init__.py,sha256=tM_wXPVfBznC9YIhVK1iukTkqW-Vg2OegKPGki12xb4,63
2
+ synkit/_native.py,sha256=cSOPrjik4yhjmnjZmwOrpNjobLNwUnmR0xEnxKKGLOA,3455
3
+ synkit/examples.py,sha256=487MiE09Jgl3TnWjWcYRmif-t6ho5U8Owz5cv7z6vB8,1676
4
+ synkit/version.py,sha256=lJazGRH1EFCR-bECCx76GwaxTjMj7WQx-lpzp9rp0vo,820
5
+ synkit/CRN/README.md,sha256=ST3uBP1KUGv9Y__YhI3pUlv7RgqOtSeJhVHuaQpimec,12519
6
+ synkit/CRN/__init__.py,sha256=Bo7jkilSmoCtmGspWoqTGQfHWpMzSvu8cK7qZne1CqI,6102
7
+ synkit/CRN/_build.py,sha256=1vE1vWcy9uo4Uoe6-LL4CnEyJh1pVF9Y2Iue1Zn3o34,1647
8
+ synkit/CRN/_native_build.py,sha256=Lvr7T69c-PxlKjfj82p4CIwGCCeZxbSfElvEXBdtGNk,7960
9
+ synkit/CRN/analysis.py,sha256=OSx0AILXIB7HKxX6-4Qn19wlrU0kDE1AW9DH_SGDdG8,25352
10
+ synkit/CRN/backend.py,sha256=q_bdsI-beDIP9_IHal-Cidic1qgdWjLSFh17MmXzIw8,2456
11
+ synkit/CRN/kinds.py,sha256=49CjFZttyLjHYpvVqzxeZnFO_xoeWxp82A9p5dyPw8g,4025
12
+ synkit/CRN/native.py,sha256=Xj3VRMi7aw7_ht8atnRZZ_6gLhYIkWvwcqQi0te_Nmk,13943
13
+ synkit/CRN/native_analysis.py,sha256=FMAbIM0GMk5l2cP4pBocEjl0snATYZR1I52Fe4WrMYk,15924
14
+ synkit/CRN/Benchmark/__init__.py,sha256=0Ni9F2E5XDgNlbfY9yYsf1Im5URaIAo0OqU7i5GLSvc,1460
15
+ synkit/CRN/Benchmark/crosschecks.py,sha256=R7bihZorVnFCvIvtH6vwjOdaT9YvlVPHE48cdskTHWU,432
16
+ synkit/CRN/Benchmark/kegg.py,sha256=b_3D-wrXWUkkVFPJKJTMFqZ2DdSwc2F9i8Z-lhBjfR0,396
17
+ synkit/CRN/Benchmark/networks.py,sha256=URUDUAzo2-wfZ01ip3ElrnI5M8DtIfxJXBYuci2lSuE,420
18
+ synkit/CRN/Benchmark/scaling.py,sha256=eBHNvXYkvijT5BDZpZfOmE0LFLzEHX4Iepz8MAexRzo,416
19
+ synkit/CRN/Benchmark/validate.py,sha256=YgYCnFycj5PNEiNffJ0k4U8IV6HAKWqO3MWTJMtQhMs,420
20
+ synkit/CRN/Construct/__init__.py,sha256=thi-Y3Dv4cqzBF7N1fRkjMvId0Pv8aYjp2bXiprrqWk,479
21
+ synkit/CRN/Construct/abstract.py,sha256=X7jh-AYShgseFw2S9gS1H4mLcsz7J-uTB93fRGD6D1Y,22191
22
+ synkit/CRN/Construct/arity.py,sha256=y2vooQUIeBS7FRhCBwbrPR8rlaHJTa2aZw4T7DFI9gw,1052
23
+ synkit/CRN/Construct/builder.py,sha256=JbYdelp8AKneMVGQrSQBdBTd4YO4CtibBtDZ8AUxFfI,20926
24
+ synkit/CRN/Construct/derivation.py,sha256=T__3tSORbgyR9zgUeTQZv7JMuKJhnshtqi0XmmtCqO8,1623
25
+ synkit/CRN/Construct/flattener.py,sha256=kGIhJFhE7cH25ES8CkW58SAS-nUuAP5EcfPZEkXw0sM,3335
26
+ synkit/CRN/Construct/keys.py,sha256=ysFfqeLIwZ8K07KXjkwbApWii_qGObzj4TcbQkQ6NX8,412
27
+ synkit/CRN/Construct/mixtures.py,sha256=bgygoZaoJgrjwnw1pzEoQvcOHpEk11t3J8IR5urVYM8,2953
28
+ synkit/CRN/Construct/rdkit_worker.py,sha256=NCG-87ro3IBcgOumW04e-PmuTfPZG2lwmH_y7pslnJw,2528
29
+ synkit/CRN/Construct/smiles.py,sha256=p_ceD_0m-1SkKJaSUSzmzQ1Bd-378DBBtGJiJMB-uzk,2592
30
+ synkit/CRN/Construct/state.py,sha256=BxMYVcQErozFnfV6CqkqfM87qwCYYGSQvm86A3Q8qtA,969
31
+ synkit/CRN/Construct/strategy.py,sha256=zCuBXSXzXrSrtFTBO8I75R7Mor5ZlK0K-kxIiI-nrFg,2033
32
+ synkit/CRN/Construct/worker.py,sha256=uQh8TmcJXeD9YM7_SRzTOG9X_d14c-Q0nGpFjPeIBzQ,1189
33
+ synkit/CRN/IO/__init__.py,sha256=x8HFWSb7i_K4DZSLZ8ukGTWx7-QDERJcPDpK0oAnqUQ,843
34
+ synkit/CRN/IO/sbml.py,sha256=fGHCkkZ5CHow22m8LUFtu-nW2583kzmoNg0tlxlgnvE,28214
35
+ synkit/CRN/Pathway/__init__.py,sha256=AUQ_fhN1Yaletv8h6GrY_G4o2P0slDfxIoW-irpgeXE,1967
36
+ synkit/CRN/Pathway/_adapter.py,sha256=DIe4cVtvBPe-mQU_Q5au4ySee7gz-t-N0l3Vnn9-Rt8,10196
37
+ synkit/CRN/Pathway/pathfinder.py,sha256=NNbNLIknlLFno1uehSgtxY59PJyyy1a5uWCSttUnQ6E,19182
38
+ synkit/CRN/Pathway/reachability.py,sha256=RTBU1cyECmybIxU03VGFpNZvyQ-AEOVWWzmIxtmROnE,28596
39
+ synkit/CRN/Pathway/realizability.py,sha256=zGvfk5qXV-GJuFYbflF0JIvZSoOBe90qMzbH65Dx7rg,47345
40
+ synkit/CRN/Petrinet/__init__.py,sha256=uzMvHlluVozCsdf2f-IT_1sppCz5fuGqvnVWR_fYc_I,2365
41
+ synkit/CRN/Petrinet/analyzer.py,sha256=yO2dWe1-G2H9mAVqTv0RZDeXhocWIQ8FFk3V3-M-CXk,16246
42
+ synkit/CRN/Petrinet/minimal_semiflows.py,sha256=j9yNxzvCvWfj1vdKD5T6yt2qpSRiyQk42jXBCEO7rys,14729
43
+ synkit/CRN/Petrinet/net.py,sha256=ghT_dl1Gz351E25tkD1Fxzm-vbyeu7CEyCcSLG6cPLQ,33993
44
+ synkit/CRN/Petrinet/persistence.py,sha256=mW75HQsRLQwBTX7mDV_G5bHWZOIE-BZHvxEeLL0l92Y,3306
45
+ synkit/CRN/Petrinet/semiflows.py,sha256=oRJQYgh_24O_JPonBdHm6SDiiIOqxpZFJvz0k50mc34,15998
46
+ synkit/CRN/Petrinet/siphon_search.py,sha256=XS56qNFeF7dgM_JMvq0w9kF2LdTJ_mDSPg6xo1DmBto,11693
47
+ synkit/CRN/Petrinet/structure.py,sha256=61T9Zg7kY4f9GnsWzBqHiiH9gCz_YYDKiI2oSYnHDyE,9983
48
+ synkit/CRN/Props/__init__.py,sha256=M09jHS0hoU8h0I2XzuERqxvaZM3rnNxdQUFoI4Wv8Rc,3591
49
+ synkit/CRN/Props/_rank.py,sha256=Ru3yFCYR0TNjL506nreG3Mkw9ib5LrhVnWRuYSqs4v0,1064
50
+ synkit/CRN/Props/deficiency.py,sha256=wGFWWGuvnBH2QVD7iPhZll9oG4Fs6R9FE5MuxbO5lrE,30271
51
+ synkit/CRN/Props/dynamics.py,sha256=Xe9xiURBNwCKe-ufYVky4CaYegLkwA_pEbozxxFwyRE,24221
52
+ synkit/CRN/Props/helper.py,sha256=9O8c-DR02_BaVHl-z2fcoahPtjjab3RJECNnhW6P0oY,4944
53
+ synkit/CRN/Props/stoich.py,sha256=I1J2ubnN3nsGkOzHPsCgu4UT71AQ3qQE92IlR4whq-o,25067
54
+ synkit/CRN/Props/thermo.py,sha256=gNstiHSlUv2ZALhfi2xnn1uVhclhVdqRQ_0dSmmSWlE,20538
55
+ synkit/CRN/Query/__init__.py,sha256=dyCTo0-kyK1xq4_rhWdykpUr8fZl2lnR2GfTdmNnnS8,1757
56
+ synkit/CRN/Query/cache.py,sha256=LFFkreSm1d2Je4_N6WPC1AUil5OZX83KLICZFUhztsU,1689
57
+ synkit/CRN/Query/kegg_api.py,sha256=WDDdzfCMal_RiDaSkq3abJLr8m_cPolsUDtSZFgFkKw,2850
58
+ synkit/CRN/Query/kegg_extract.py,sha256=EiAUrSWd9-i7HdnJvafG0WfQuEjI7mSr593LelkWzYA,23515
59
+ synkit/CRN/Query/kegg_impute.py,sha256=MWmXcaiZ3HDrQj9Dx3aKDj7DsTGYTG0-5bOJAHbX3xM,24239
60
+ synkit/CRN/Query/kegg_parse.py,sha256=VpybIIv03PLztL8E7Cp3h8JuyL0s6bFvbRV-UlmjDUQ,14428
61
+ synkit/CRN/Query/to_syncrn.py,sha256=Dkt6KBFQ_yJ_uTNmjGp13lgc47uNJoEGCJBZ1N2ZvOA,9337
62
+ synkit/CRN/Structure/__init__.py,sha256=PO0rbHsBMND_u0aizlXrIp55xUCC6VQK28QLg9S-620,218
63
+ synkit/CRN/Structure/_graph_io.py,sha256=VP4vq7wPN2A87HUxgDPEvT0MHIz9nMlp7qfiE2THf0w,21203
64
+ synkit/CRN/Structure/_matrices.py,sha256=_vvn8etMgO0dLj-Je2s0FobhEKPj-7kLTSVZKfOQe_c,2337
65
+ synkit/CRN/Structure/_parse.py,sha256=-VhF7evqVDzxkHjVNcaI6pVDYCUADFFAgcWL3ynsbCg,15918
66
+ synkit/CRN/Structure/reaction.py,sha256=LRL6Lt8lOkGwQFwFGWlnRdVlrCWeLzsmHBSY_7jbYhY,8336
67
+ synkit/CRN/Structure/rule.py,sha256=iGYLPt7NPkJn52dyzWcLoD3zdX49CrQ8m4go63oQvoo,1831
68
+ synkit/CRN/Structure/species.py,sha256=UH2HMWlQflsKTRErLk-ZU3AHSIqnG729Z2w-vqKLQOI,1454
69
+ synkit/CRN/Structure/syncrn.py,sha256=AFZiitL4Trbpmd3WxBI3KedwITzUWOZnDvfZDPIiqaw,29949
70
+ synkit/CRN/Symmetry/__init__.py,sha256=v0t6qxqM_UC1jvGvab_yH9mrN9dqeTpkGmFjwtb02ys,610
71
+ synkit/CRN/Symmetry/_common.py,sha256=g3H4_2PHg9y5FX7DIQgNunacjI0-RZ6tGibIXrJOWuU,28760
72
+ synkit/CRN/Symmetry/_ir.py,sha256=OyZ1rGO3q0vkCyKU5drxzTIfUn5D2jyRscqHQ2Q6svo,32087
73
+ synkit/CRN/Symmetry/automorphism.py,sha256=0G6mkE5TaW33Ez9K2QETU-plk9kJW00uGnK4KWpYAw0,14842
74
+ synkit/CRN/Symmetry/canon.py,sha256=5cLAfzhUUo6jNxr8hlUdG-nAmUyXZxwUgkM1NJEA6C0,15230
75
+ synkit/CRN/Symmetry/isomorphism.py,sha256=aGyuvXL6sp25D3ewYfNoT5votfOMYGqgAQWgh4ZjwTM,11909
76
+ synkit/CRN/Symmetry/symmetry.py,sha256=WIcVgZ2hbHdVKkHuz0hX60H7a67k7IRH4A9kgirp4ns,2021
77
+ synkit/CRN/Symmetry/wl_canon.py,sha256=eibvXQq-t9ebIR0pHtNm2XG9VhTbm2uMNpZISBd1tZI,28223
78
+ synkit/CRN/Visualize/__init__.py,sha256=s-t1k-X7zQdVaVU5HdnafcricYth2viUwsyKjv0xrJU,238
79
+ synkit/CRN/Visualize/labels.py,sha256=TR9468KgC39MYTbAHXAenZt2q7rNp9F-r_7o0DZ-gwk,3611
80
+ synkit/CRN/Visualize/layout.py,sha256=p4UknXfHygAedQsFRPLZqgTmbMA42gelVJ8uL3FcVeM,22080
81
+ synkit/CRN/Visualize/palette.py,sha256=86Y-XBWjurOGxJsN1V1KAUJWII5i5EueTQOYqEScp7Q,8704
82
+ synkit/CRN/Visualize/validation.py,sha256=bFYOYOGhV3Oqlkj0ZGjXHbrP2pK-wxqAvuA1n8T8FZM,3675
83
+ synkit/CRN/Visualize/vis.py,sha256=JetLsv-WEJyLxu2bv_RLNyDT3XIntIyVK9HQSeZBvNQ,41358
84
+ synkit/CRN/cpp/CMakeLists.txt,sha256=PexK0agZLwGTKd2ZYp-PgNyErHRA3lEu52hhEbM87_U,2540
85
+ synkit/CRN/cpp/algebra.cpp,sha256=y7vX1U_k9oFtvWGk8VFvrPabPlYGYAmcsMN_JyTc9bs,5123
86
+ synkit/CRN/cpp/closure.cpp,sha256=E14U03WxYZdeI2OVP5gZXBgM_0a_H7UxAPX_An4Izhg,1060
87
+ synkit/CRN/cpp/exact.h,sha256=McQiXnY25Ggjez1Uf8VGlytmK__IoPCewNh3rsXUFGI,3092
88
+ synkit/CRN/cpp/pathway.cpp,sha256=sGYEaUuX85jJglV9VdRhYZUcr-L-rJA07DmnNzO797c,3558
89
+ synkit/CRN/cpp/semiflows.cpp,sha256=z2d2JPOZ9FpMYuXq9KLimydI3l7e9tqC4AbM6of7RcQ,8997
90
+ synkit/CRN/cpp/structural.cpp,sha256=jKZT5c45bsq0lHQO4U-EiSfOztG8rU-83CGDFmo50G4,11956
91
+ synkit/CRN/cpp/symmetry.cpp,sha256=1aFNSTltUfZKIQeEr7Jv-LrRtXJBZS0dv8Z-u4omjfA,3886
92
+ synkit/CRN/cpp/write_manifest.cmake,sha256=K1jodbfCcZMxN1diATq_8Y68lozHxhSJQ5tpus7X15k,1477
93
+ synkit/Chem/__init__.py,sha256=hj_vCW4w5cMaJ6vCSoZd_M-HDbAIzVz5bWMRDA3PgXI,49
94
+ synkit/Chem/utils.py,sha256=Oe3sbQJbu-uXx22O01oWCHaP3A2VaNWjKQveNZ75vaw,11032
95
+ synkit/Chem/Cluster/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
96
+ synkit/Chem/Cluster/butina.py,sha256=9b4dwKyXsNbq8SaNv79QS4XzPGEeTMmxQCz9HV6LHl0,5271
97
+ synkit/Chem/Fingerprint/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
98
+ synkit/Chem/Fingerprint/fp_calculator.py,sha256=0-RG3GKOkvagaSMrUcqCiKFwNgjs7ATuebE8QXpeHJ0,5575
99
+ synkit/Chem/Fingerprint/smiles_featurizer.py,sha256=67YITEWDxlbGBa6SftDmJCgVH8nQWef7IZ3bLeEPPR4,9007
100
+ synkit/Chem/Fingerprint/transformation_fp.py,sha256=TzoUO3vthGicgOVezaCZtYgIiud9hp2g0vzfMcDlmY8,5550
101
+ synkit/Chem/Mapper/README.rst,sha256=n4Omt5K_1UQ5huSvQxiIe4I1D3sw_fvnRbrj-LUl_V0,2004
102
+ synkit/Chem/Mapper/__init__.py,sha256=c5RkYNBakPkLFt0VZ79cgz_RVFF37HpHsG28nBlEcrY,10253
103
+ synkit/Chem/Mapper/_compat.py,sha256=YyZ9mfNYwmk5-Q-flbG150yxkEGfMLvkhD04c7BIkbs,5598
104
+ synkit/Chem/Mapper/mapper.py,sha256=UL-MeejkgFfBgfe-YB8w5sagycCbqu70QGUGA9bh9Fs,28126
105
+ synkit/Chem/Mapper/reaction_search.py,sha256=3CBy9mJWJWpRlvPt43zJgxsoX7iDbM5pwCnwPkUPt0w,23788
106
+ synkit/Chem/Mapper/adapters/__init__.py,sha256=-QAZjHwfkHRyRMjHeXmfOQlbqBzIOoOVwFZQkVkUTjI,81
107
+ synkit/Chem/Mapper/adapters/prediction.py,sha256=b87A6PXbr5-PAy2Nhcwc-Aqu26ihOE_IsRfKvETAIDg,5398
108
+ synkit/Chem/Mapper/adapters/template.py,sha256=1jyu6o_fUhZniTsO46srHwBM-iaYd-7YPnMQbHPxHgM,15699
109
+ synkit/Chem/Mapper/chem/__init__.py,sha256=Soxr6UbrgyTB9QtTEWmVl6Dl_zFoucE9reYX-g7a3mM,1369
110
+ synkit/Chem/Mapper/chem/aam.py,sha256=i01AcoHj1uLHf_KLto5OzDvGb9ewmhNnBM7YWU9-uDg,27404
111
+ synkit/Chem/Mapper/chem/blind.py,sha256=tKoJeIfjnnK5cPrHic1HitP7i7YmpFRWWdbIfLyTf34,6054
112
+ synkit/Chem/Mapper/chem/its.py,sha256=Eh4CXtSGmXA_xoKzAOHdxWJ6xQu2TSuNMEASLE5cHA8,11388
113
+ synkit/Chem/Mapper/chem/smiles.py,sha256=_3vv1XMNWgTJufVmUKjZUFQ2AuSdLNJ8uXZYGzvoBlY,18740
114
+ synkit/Chem/Mapper/graph/__init__.py,sha256=idRbh15diueWlk0LUtVyQ-u9Jxmpge1Wor-NwXZlOrk,1695
115
+ synkit/Chem/Mapper/graph/automorphism.py,sha256=DkMnN3XxS8_IXABqIqUQNafVvGgRbPZ-jsZ_2hgsZVI,14973
116
+ synkit/Chem/Mapper/graph/blockcut.py,sha256=sOuHZBh2fsnT8_v5pOP3pBfJyfTvRSCb7PIald7l3Lc,3251
117
+ synkit/Chem/Mapper/graph/labeled_graph.py,sha256=M_xBvYzYsvrJFCe3oP395BdKY7H4GyWyiFUtIsRex0g,3562
118
+ synkit/Chem/Mapper/graph/refine.py,sha256=QT8skBE7JizMwDiX5dD88zK9cHL2PwXxSi4aXRi_nOs,6373
119
+ synkit/Chem/Mapper/graph/synkit_adapter.py,sha256=lG3vUiBRiL9emCaQXM82axG2uizxT53zEGMxoniLA1w,3533
120
+ synkit/Chem/Mapper/io/__init__.py,sha256=hui1I5JujY4e97seT0XbsE8mFuqUJViU9ROfIve9EiQ,245
121
+ synkit/Chem/Mapper/io/idxmapstr.py,sha256=wQpdIxu6k_q3ggZCk6Po2FzkOCZ9m1z921JV1M1xdzE,2341
122
+ synkit/Chem/Mapper/reporting/__init__.py,sha256=Laj_rt7J3SqQJtAU-W4YIkrH8pF37AnJx6jEh2XDKvo,71
123
+ synkit/Chem/Mapper/reporting/alternatives.py,sha256=FYqe7lvb5bLz0XKmk7pFMvCBlFYhyspt44BKeOc9M1U,18168
124
+ synkit/Chem/Mapper/reporting/analysis.py,sha256=usbMao6f7v1HZaEuxJ3PG7BRMpA0U7HSN4lbm60eNR4,28546
125
+ synkit/Chem/Mapper/reporting/native_analysis.py,sha256=QR6cin2VfmsDm9kkSmp1LvIPx6cNwHiAaj2JE40UWZM,18839
126
+ synkit/Chem/Mapper/reporting/spectrum.py,sha256=W7TYiHpHQEO1naRW7rEk3CU0Jad4YI852fjQRGH4hu8,21770
127
+ synkit/Chem/Mapper/solvers/__init__.py,sha256=pD7CIFbAhpWvpKhcWaKNEal0PcUPtPjjNlFLPowmKTs,88
128
+ synkit/Chem/Mapper/solvers/exact/__init__.py,sha256=duuKi81g_RTsyTbgt22O4x2rMJkyr_oI2e6b7Id93L8,4922
129
+ synkit/Chem/Mapper/solvers/exact/certificate.py,sha256=-5j9QZmPH-m3bZej0HAHZtPshZekZ18NXgB4bx_iX9I,4816
130
+ synkit/Chem/Mapper/solvers/exact/core.py,sha256=UJQH2ALaZVFMFrrI9W9uPr4EIuWwIGyJYFciIHmDaUs,7260
131
+ synkit/Chem/Mapper/solvers/exact/edit_support.py,sha256=WGa9HtbjU-dYGHzayzUE6_9cTXb4U1cyTuj8OqtUF4Y,14644
132
+ synkit/Chem/Mapper/solvers/exact/hybrid.py,sha256=uiwsBCNVdXRz-I6Homgh_-uzzGuzig_ctwkYZpYma44,8847
133
+ synkit/Chem/Mapper/solvers/exact/hydrogen.py,sha256=JbUeCAEel12tiUy_ANiJTxczdM5mx89z2ijZlrBVFBE,9357
134
+ synkit/Chem/Mapper/solvers/exact/native_build.py,sha256=NdOsNSJyCTiuSkZcjPt92mMfeSaKnNHTqbDDDDoQtCQ,317
135
+ synkit/Chem/Mapper/solvers/exact/search.py,sha256=0CO2vJrHlAZYTRC-jkoKB8soRlvuD-jOsc8cDdYoOjI,2456
136
+ synkit/Chem/Mapper/solvers/exact/symmetry.py,sha256=pJa2l53VDhdHtEggLNaeyC_WYxJ9f49isq2peHhSYsQ,7474
137
+ synkit/Chem/Mapper/solvers/exact/assignment/__init__.py,sha256=B24svH3VSe3u5wUQ4pJ8AVb_RDFWBkshHO7QHIAoVsw,82
138
+ synkit/Chem/Mapper/solvers/exact/assignment/assignment_certificate.py,sha256=X7iT2-EN5kRG8mwQVXL8Y_7ylruP6EKVP_QMSRNGeP0,5034
139
+ synkit/Chem/Mapper/solvers/exact/assignment/assignment_domains.py,sha256=RD9aGbolpjx19bNtqpyDUyp1KIKVAmEkKJ0-RZFMGqI,6716
140
+ synkit/Chem/Mapper/solvers/exact/assignment/assignment_verification.py,sha256=tccsHz0tGA9IUz1xROVAraLU4fSYON0IhlFA_Oqnpqw,2073
141
+ synkit/Chem/Mapper/solvers/exact/assignment/incremental_assignment.py,sha256=6wJxfa8qzx-1f-HTiiZl08gSFtBFBK0Ruswc1oc8yd0,9426
142
+ synkit/Chem/Mapper/solvers/exact/distance_search/__init__.py,sha256=0fLL6HyxUS1C88bXqUKNvtN0hr4y89BJeRCBL_l2PcU,96
143
+ synkit/Chem/Mapper/solvers/exact/distance_search/bounds.py,sha256=E89lETW3H9TEMzOUWwaUJt-HGADizNjztI9qxLCZphk,12798
144
+ synkit/Chem/Mapper/solvers/exact/distance_search/exhaustive.py,sha256=6yCiZHGRpII5U8iZspv8dLv63IMIQ7WtTPXQlfKmfWY,6817
145
+ synkit/Chem/Mapper/solvers/exact/distance_search/inputs.py,sha256=Bqwxn5PtDia8S3Z5dhMBXoUAx7yVKxw11rjNtcQXxXc,11060
146
+ synkit/Chem/Mapper/solvers/exact/distance_search/records.py,sha256=q0nre8nD4aorzqyWWC1_8aa2XU3yO-t2LMrBPx3HI3E,9215
147
+ synkit/Chem/Mapper/solvers/exact/distance_search/search.py,sha256=3NpgrpqhTLcOl-i2tZSCl7hLLaj_2QXeNBjZRG6-7Ms,43568
148
+ synkit/Chem/Mapper/solvers/exact/distance_search/verify.py,sha256=446lZAwGxInkJzlranI8WK_4TrzwDP14DNr5TrGRim8,16309
149
+ synkit/Chem/Mapper/solvers/exact/kernel_solvers/__init__.py,sha256=xlYOb1lKWylvAEFKQQ9S_HNgFJqXsmepLcTvxmPXsIM,76
150
+ synkit/Chem/Mapper/solvers/exact/kernel_solvers/branching.py,sha256=v6_ywuXiZ0TYN9PheqkY7UI8CVqxwD1J3QTJVsYjOl0,17963
151
+ synkit/Chem/Mapper/solvers/exact/kernel_solvers/enumerate.py,sha256=pMZQfox5TvDH7FW6ALTMHVDpp0Aia7X4I8goWQ6HxT4,34969
152
+ synkit/Chem/Mapper/solvers/exact/kernel_solvers/enumeration_result.py,sha256=b2duobNQQyyXFVGk0sa4ENN8zFlGzaskUa5dABX97uw,868
153
+ synkit/Chem/Mapper/solvers/exact/kernel_solvers/kernel.py,sha256=O_5PlWZWth_0Y7m5UmIOB9bAr-SoZJSdVRJkSna-k1U,9484
154
+ synkit/Chem/Mapper/solvers/exact/kernel_solvers/milp.py,sha256=pH4m1VkIn8M6hb7prXtY1UvaDT4aJzj4F13ds5lbTxM,7538
155
+ synkit/Chem/Mapper/solvers/exact/native/__init__.py,sha256=xlk7EfRIRFFrkhiNvFRNDRUvoI0ZURDyoyIimjbNSLg,90
156
+ synkit/Chem/Mapper/solvers/exact/native/build.py,sha256=KQDIwoHeWvpYAJJZaZP5VS4CsQnbYv6lpYcLoreRY-0,5740
157
+ synkit/Chem/Mapper/solvers/exact/native/candidates.py,sha256=FZ1yvC76CErXUhEgUupMdxlh88b9rvrvTe8g14ED6gU,20326
158
+ synkit/Chem/Mapper/solvers/exact/native/canonical.py,sha256=BgfASko4pF_Px4P3CFWTNu0R9Kg9dM8YCNx5f_yxwVY,13785
159
+ synkit/Chem/Mapper/solvers/exact/native/disk_frontier.py,sha256=8vJXU8sVk8up3Mq2yPxwqgFCwqTC1kEr6ww2hOT28GM,17775
160
+ synkit/Chem/Mapper/solvers/exact/native/frontier.py,sha256=wLvIZfBrjJD3BJR8G1jGSgAlS4zrU54Gapg2HCqIkMI,14530
161
+ synkit/Chem/Mapper/solvers/exact/native/hydrogen_quotient.py,sha256=8Kc5uVRyv8lOb_kJQ5IwDbjMEbWtNrJr_sXgtVlS4Hk,10186
162
+ synkit/Chem/Mapper/solvers/exact/native/its.py,sha256=_sbX0FEUQMuuVXHyIaYZ9aGYxgqJMAODZv3yD0HqrCc,22195
163
+ synkit/Chem/Mapper/solvers/exact/native/orbit_aggregation.py,sha256=XDpRspkKJ2BSzcreqWcdA5wj5uTVnr-yHFJE-XC-WII,12208
164
+ synkit/Chem/Mapper/solvers/exact/native/parallel.py,sha256=zck6YJqLf3o2o2GnbrLIw7xQDr_g74yithOPk6TpTr0,7956
165
+ synkit/Chem/Mapper/solvers/exact/native/pmcd.py,sha256=SYAm0CACcizDGIdkXZTMg8yxJqIme12qayJSij34wXo,9654
166
+ synkit/Chem/Mapper/solvers/exact/native/runtime.py,sha256=s-YIjhGHOLLd_nA7qvxFPK7Q6assQwf0x7pegrIHDvs,1460
167
+ synkit/Chem/Mapper/solvers/exact/native/search.py,sha256=03gIHOZ1mBlfDu1mmwIT_l66QrinP-byfaoIGY67jxU,11820
168
+ synkit/Chem/Mapper/solvers/exact/native/separator.py,sha256=fU6Iho7jyNYCEXmGDNEifP1AsGQoiIeUOtBeHfZuP6Y,9204
169
+ synkit/Chem/Mapper/solvers/exact/pabs/__init__.py,sha256=2tix8GwrK4rWPk9_gZ4rsZEjsJbZM_4KHoQcBV7UgQQ,83
170
+ synkit/Chem/Mapper/solvers/exact/pabs/cost_lattice.py,sha256=ZOnvNkzBkKCB22kxfCU4SatcjtL0u3mUXWC67QJaOTk,1438
171
+ synkit/Chem/Mapper/solvers/exact/pabs/factor_spectrum.py,sha256=ScIQUmQLMx_osMYd35g0s5hnhgaRvXb212q9U6ved_0,3782
172
+ synkit/Chem/Mapper/solvers/exact/pabs/multi_shell.py,sha256=feTCHwWTr9cmSO-TzFLoMrK0jlgwIIVjfsahN-24f3c,13886
173
+ synkit/Chem/Mapper/solvers/exact/pabs/propagation.py,sha256=t2kbmkv5ynzttIrOG7xDXD0onhNHHGGFZsMKRB_c1fE,26887
174
+ synkit/Chem/Mapper/solvers/exact/pabs/propagation_bounds.py,sha256=ycVEYN1V5uXwIh8_3RE887GwG-90e67WS1EDQfroHdM,19748
175
+ synkit/Chem/Mapper/solvers/exact/pabs/propagation_limits.py,sha256=46oNIs3r0xLlSwjODARNzzcOw3j8eh_QXZohX42f07M,470
176
+ synkit/Chem/Mapper/solvers/exact/pabs/propagation_search.py,sha256=DoGFkoww50WaRbNY6i4bxbxO-itCUowDpA69ubVqeAo,37805
177
+ synkit/Chem/Mapper/solvers/exact/pabs/propagation_symmetry.py,sha256=aMEbhbakLvORBe3EA4hiBR_LLDB7CjoE1H51OgAgcNc,2516
178
+ synkit/Chem/Mapper/solvers/exact/pabs/residual_typed_bonds.py,sha256=7V4xqR--6cIEskCUaJdeqIFUF25MC4d0OmC40uKX9D8,6228
179
+ synkit/Chem/Mapper/solvers/exact/pabs/reward_frontier.py,sha256=2t6bkvwEflSmhjJxcyywi9pFONp3ddxF5yTysekeNU4,7770
180
+ synkit/Chem/Mapper/solvers/exact/pabs/separator_bound.py,sha256=8w9DFepwi3NQPs0tcw8hk_RJOAQdaZGic32xj8XgNCY,9951
181
+ synkit/Chem/Mapper/solvers/exact/pabs/separator_spectrum.py,sha256=y_t_bFVUjPcsZm65l6AGBiPtTooWMI_a1roKYK2-3cg,12427
182
+ synkit/Chem/Mapper/solvers/exact/pabs/sparse_reward_bound.py,sha256=VrlzP9EpbPXnh63eruEeobDyjZyJnGLe1BQcaPfL_QA,7558
183
+ synkit/Chem/Mapper/solvers/exact/pabs/suffix_spectrum.py,sha256=TZcdJjCpOmHUI3DFcaIl7gh4ccrmOdPgXZijtiuUJ-A,11977
184
+ synkit/Chem/Mapper/solvers/exact/seeds/__init__.py,sha256=46ACv4u3IRS9xNSSvMPi7SCEgjBteFMUJYGAw8ytvfM,65
185
+ synkit/Chem/Mapper/solvers/exact/seeds/seed.py,sha256=p54-o82haQB7XxVa_lKbfXcjo-jJzOoFVHI2tgzrCCQ,3938
186
+ synkit/Chem/Mapper/solvers/exact/seeds/seed_fragments.py,sha256=NnY-e1fYXAQl-xycfKkdE8RrX1kqW1CXzk04QhUL5hE,6127
187
+ synkit/Chem/Mapper/solvers/exact/seeds/seed_relaxation.py,sha256=EI4it2lUMZBt8ph0SGaVQ8likEZNacZj7QYoMUYIngk,7393
188
+ synkit/Chem/Mapper/solvers/native/__init__.py,sha256=Y5bmvuny9FLwJ69fbxTMNGsFKAp2lA_afvARLcfLBPU,164
189
+ synkit/Chem/Mapper/solvers/native/assignment.py,sha256=S_B0ZX1TzWVnPKFT_z47Rj3nOh7u8OBwIkPvp7J7R5I,3465
190
+ synkit/Chem/Mapper/solvers/native/astar.py,sha256=YMWDDKeHIze4b9obu5t9PxH9lzz1Fcs3cu42zfS0mRo,899
191
+ synkit/Chem/Mapper/solvers/native/build.py,sha256=p9J_s2vHwkWNZUTsy1AWj5gKv0zg_sonFuM-uuF5aLo,15184
192
+ synkit/Chem/Mapper/solvers/native/classification.py,sha256=M98FsrGmg_g9OPvzU8fiMv57m3MvhQNS7PZjxs-E3Jc,24995
193
+ synkit/Chem/Mapper/solvers/native/core.py,sha256=TDB9ubA7E4gXkfWna2BVhOq6LumpemZTABjaWcbH40Q,15668
194
+ synkit/Chem/Mapper/solvers/native/hydrogen.py,sha256=QHliu18Woc_Ov6A61oSBi6AMGGJ64wkHpoD-wIcB380,26433
195
+ synkit/Chem/Mapper/solvers/native/implicit.py,sha256=nFvCYUahidm5Rfp3PmU5S9xCy41_Od2uAwVF_b12OxQ,20279
196
+ synkit/Chem/Mapper/solvers/native/implicit_certificate.py,sha256=t5hpM4df9bNdo0zLZ9YhZn5JqOCB7w9B7dRjKkjXRiI,6362
197
+ synkit/Chem/Mapper/solvers/native/implicit_preparation.py,sha256=k284DCS0nrGFxYM5cI5fbrSlJblwmgFX9YjLjrxCaTk,15815
198
+ synkit/Chem/Mapper/solvers/native/mces.py,sha256=Ox-LAIdXQ8D59QPu5SXIH4AY3w0h-og9LTjslFrYll8,581
199
+ synkit/Chem/Mapper/solvers/native/reaction.py,sha256=4RzO494WUgxLq1UEqyIjyATYpPQ483WV9mt-lSm44w8,6360
200
+ synkit/Chem/Mapper/solvers/native/reaction_build.py,sha256=GgLH_wQ8WTEEfa9P7hyXjKQtoU2oadVDTO-Dy3NzZOU,10648
201
+ synkit/Chem/Mapper/solvers/native/reaction_text.py,sha256=8xTO19cftdP5UgqieVcSbO5kLaR7Ax0yMt7FBQ0F-_o,892
202
+ synkit/Chem/Mapper/solvers/native/runtime.py,sha256=S1w7_SFvGvNELjrNpkTjWmLyO0TU559T0kiXmi1X7XA,7263
203
+ synkit/Chem/Mapper/solvers/native/sepdp.py,sha256=ha7HLSl0Z4sRvXt4JHEBE_g5F6eR59vr6TgBiJe0XR4,1527
204
+ synkit/Chem/Mapper/solvers/native/slap.py,sha256=UFVsMTCXMe8nuA65-M48AlXP_bw1qJM_O0oz3txfY1k,9250
205
+ synkit/Chem/Mapper/solvers/native/solvers.py,sha256=-v-M6R6nDn7E3Y2ImzA7-vQLNDHIdiaLmm6_jx6XnjQ,2498
206
+ synkit/Chem/Mapper/solvers/native/stereo.py,sha256=cUVl8dMYy5kslbKw9Y6u4_FaSugxEzjc10AT3nsvw5U,3178
207
+ synkit/Chem/Mapper/solvers/native/supporting.py,sha256=AJodcvxBZDsGxCfmC3E0sl0jwb8IGqCGEeUFq2J8Vx4,1269
208
+ synkit/Chem/Mapper/solvers/native/symmetry.py,sha256=CvTtB_TszJLl8K-Zu4BA9wev5Pj--ontjDCkUv_GD3M,3040
209
+ synkit/Chem/Mapper/solvers/native/cpp/CMakeLists.txt,sha256=SuARfit0luLN0T5Yx23tUiO5Br6h1JIQVxhBtTaJ-HE,5993
210
+ synkit/Chem/Mapper/solvers/native/cpp/examples/map_reaction.cpp,sha256=O6Uow3gMiN1I0x0ew_1aPa08J17nbRaAUXP4bSc7hJI,1025
211
+ synkit/Chem/Mapper/solvers/native/cpp/examples/slap_graph.cpp,sha256=2fwzLNlp04iU3MVhPnOHPbZ_hSm3XbHlrQYyiOzEyR8,2035
212
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/mapper.h,sha256=YSTPbCqC48IQHsBHQZk-PzNMyGovNaISVQfJHbzN8yw,6377
213
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/slap.h,sha256=vP6FzMH2YuIbgwlamWV_PcSOSxfg5dSbKdBgt_1cBOM,2933
214
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/assignment/assignment.h,sha256=wJG4-8U2iyh2jTmL9f3qunFfkmp1qLhE17lceIh_xK8,715
215
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/astar/astar.h,sha256=6jthdOIYtBZZJW-VNRkceY4LUAyfIx-KgfTquAQwOnE,493
216
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/astar/bound.h,sha256=FB5lr4yzYHH5YyGX4byDoFIJA_bqk-MsCQF0vcFBSZQ,1423
217
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/core/pmcd_witness.h,sha256=Y6-eCQnO30eSOivoUNGcjT92R1rz0NFNsLhHgS-IT5Y,661
218
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/core/runtime.h,sha256=stTxTb60z1o9sq4JxK4zoT7wThqzKoPX997gN8pGCOQ,4637
219
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/hydrogen/hydrogen.h,sha256=9r-nN2cc9F4OW_mlcxdBy7BjiQo2dSPr9KSLLu3q2KI,4149
220
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/mces/mces.h,sha256=icwZVYBxa7E0zRMzVaWEcMlLM4SaZsTxZKQJVpHmiIA,394
221
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/pabs/seed.h,sha256=32NUoXFQxVFCvsV4mBOQF4gtWYU0d0m6qdHC1wejuoI,1705
222
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/reaction/reaction.h,sha256=FJz-pvFJoT1lVlwcwFQvFZlvC5PdQzMcwoNc8TSwgKw,1007
223
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/sepdp/sepdp.h,sha256=CJR6DYtuYpThYkYIKZAoyQSAdi6upBOunxUMuTngQ48,458
224
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/solvers/solvers.h,sha256=cZ9zIrx-oGZPqmPc8xoZrTcBpdmn6F_RyZyUUYMaX0U,669
225
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/symmetry/classification.h,sha256=d26FWIpgdZzZNkquIq9VITuujkBbuKdFKyNRHhOfbOo,7556
226
+ synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/symmetry/cpabs.h,sha256=VikotlD5Glj0YmZiIBl0n6mAeUocZf2n3PSVjNgX0Nc,1181
227
+ synkit/Chem/Mapper/solvers/native/cpp/src/slap.cpp,sha256=2qZiPatLCE7Z5wZK7BoUbF7XiuaJQMYsJmlpCDZPzM0,29592
228
+ synkit/Chem/Mapper/solvers/native/cpp/src/assignment/abb.cpp,sha256=uwUI3GXDi-ZkrCcE6SOJMulevDiJIrUzyshc4pS0fek,9946
229
+ synkit/Chem/Mapper/solvers/native/cpp/src/astar/CMakeLists.txt,sha256=ffRqrYmuenzosvGueFzUfVhrUYQs7oGzvqUUYV0pmVA,489
230
+ synkit/Chem/Mapper/solvers/native/cpp/src/astar/README.md,sha256=KGr99DiSBW6TUoZzd2j9n7nH9kBxkmlqKK3EoptLtsI,2884
231
+ synkit/Chem/Mapper/solvers/native/cpp/src/astar/astar.cpp,sha256=CY_Z3BMYgGtg-SE7cjW6zVko9RU6Yl_VdVnf81TZmBc,8249
232
+ synkit/Chem/Mapper/solvers/native/cpp/src/astar/astar_graph.cpp,sha256=tK7KqiKdbmIgkyWq8eP4F_uWPsqsThHndhYK2LvIrcc,1418
233
+ synkit/Chem/Mapper/solvers/native/cpp/src/astar/bound.cpp,sha256=jTZZHajpnehPaxiFiMaZ9uOiyXm9JnE0kEXOw8tSQ0A,7623
234
+ synkit/Chem/Mapper/solvers/native/cpp/src/core/dispatch.cpp,sha256=6GuatsKcss9Qa-ZeXm2wPQt0josf1PFp4RpNxRrw0LI,9544
235
+ synkit/Chem/Mapper/solvers/native/cpp/src/core/pmcd_witness.cpp,sha256=8FLzgBkRyS1Yo_05haf4gLBuqB5zuYgHPZiCmige45g,1222
236
+ synkit/Chem/Mapper/solvers/native/cpp/src/hydrogen/hydrogen.cpp,sha256=YWmA32eXj6r0Nf0Fkq3quOGe83rYx99KxmVp6991Je8,24466
237
+ synkit/Chem/Mapper/solvers/native/cpp/src/mces/README.md,sha256=R0zrhf4G0J3L2CEcRZBfqF-CDglNjW-hczafuN4UDPc,3674
238
+ synkit/Chem/Mapper/solvers/native/cpp/src/mces/mces.cpp,sha256=odHerGK1tFjQgnd7St1HrTCuLGT7_jZkbpzW0chujxQ,10123
239
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/bridge.cpp,sha256=Lg4ZKDzx1D8dS9lRJOcGzd-XPNpFAiKh4L9IMH4RGtg,13152
240
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/chemical_floor.inc,sha256=zGR1BxBJlCuw7oDxuwsC4FLX5vjMpJGG2MXFPVfd31U,6309
241
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/endpoint_symmetry.inc,sha256=bfxLZ6n2RPiB42rw3n3_SV_Du3xAGQ7651DFaOhzJOA,4291
242
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/exact_helpers.h,sha256=KZfrvqMOFKvdP9utt5lMXs6Uns-y4T-amQWj9wAXV3Q,1149
243
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_assignment_certificate.h,sha256=Yv_2Z9_TvlwVEv2qUYPcv22BT4FBDSEM2o5QOcmPQkI,6101
244
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_certificate.h,sha256=Z7GPoVKZJY4l7AcKPiBgeUZbZ38t0OsS8QGKPVeYkGM,4963
245
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_model.h,sha256=kNe8qWDdePCcbo6uOncM4-zgaqxFrbvNGLY6zOjBXlc,12458
246
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_provider.inc,sha256=0LQ1gxMchChRzM8L7B12IhBnEg6H943PAALiq7lxp0c,13034
247
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_rounding.inc,sha256=rg6mKGe-9ywvMChSoNwmP-DDoCGzendF0GdqrtHwhEo,6662
248
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_test_hooks.h,sha256=Co30wBUY-OIB-goxWz4ku_66Enk9wLi3M19m8UrkvXM,13511
249
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/objective_reduction.inc,sha256=WR0MPqt645XHomjQ2H3YPqDkquP6R07_-mHIleIrsgs,5230
250
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/overlap_dual.inc,sha256=pW8OQjmFJ-J20q9RXqTDftkTyoLEb5qr83Su6XBZRSk,13323
251
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/profile_seed.inc,sha256=pirJ2gBDcUU0ilzpKAXgnkrsEvC4fH0yfaJHbcd1LaY,9004
252
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/seed_heuristics.inc,sha256=8hirCPSC9hRDQBkVVuR_zuwEzH9DxQ1wLWNk5sARzfk,24551
253
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/sparse_embedding.cpp,sha256=rKNQxcE8A-1trin-57LGh-qJR9zlvKelD7WqyH1E3DQ,13703
254
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/sparse_root_lp.h,sha256=W9L0TKLhTlq1QYOPqlDNHSKowOXHFAip1GdudoRGrYA,6812
255
+ synkit/Chem/Mapper/solvers/native/cpp/src/pabs/test_hooks.inc,sha256=W_Spzc9zNly7z9fZQel0MJK7CnrG9p7lsjxf_7Ufqkc,9718
256
+ synkit/Chem/Mapper/solvers/native/cpp/src/reaction/reaction.cpp,sha256=7jOMkyPKevQaqXS2gARXEmfDkihHFel3YX1wVyuhE0w,30129
257
+ synkit/Chem/Mapper/solvers/native/cpp/src/sepdp/README.md,sha256=sGkXVnfDSaRn4Pogs_RbqFj1TPdZrvTVu7ZFaAsCIxI,3825
258
+ synkit/Chem/Mapper/solvers/native/cpp/src/sepdp/sepdp.cpp,sha256=icYGpMH4GtcJ9fbFMqTC1Cmz4PSU8l7fAECWQGZsdLU,9855
259
+ synkit/Chem/Mapper/solvers/native/cpp/src/solvers/formulation.h,sha256=meubKlLAt-8mHng9zzJOAbhU5_20RkaRUMI7ihHobvI,4642
260
+ synkit/Chem/Mapper/solvers/native/cpp/src/solvers/maxsat.cpp,sha256=VMbcvdhouXfmXbBn9VTyjWyTM0A_AX2q-OH7uQ8Cju4,19581
261
+ synkit/Chem/Mapper/solvers/native/cpp/src/solvers/ortools.cpp,sha256=MGbe_qmEhgCBovvWATIdVmE5QqgjZEB6tYa1QWSGLyw,18192
262
+ synkit/Chem/Mapper/solvers/native/cpp/src/solvers/seed.h,sha256=oUWRvSgegGLXHWFwrPtBDvhu5YCZ4y3npqEMoarVwg0,3022
263
+ synkit/Chem/Mapper/solvers/native/cpp/src/solvers/weighted_cnf.h,sha256=PKN59EIXvolG7jfHI57UHmp4OSwgQXXzCQn2_IbtsSU,7607
264
+ synkit/Chem/Mapper/solvers/native/cpp/src/supporting/README.md,sha256=N9mYUQJONwcvwIMJfK1EKj6e1a0FJGcx06OxLMhWnDA,2880
265
+ synkit/Chem/Mapper/solvers/native/cpp/src/supporting/dfs.cpp,sha256=M-6_pQQqdRIq8x9Hg7sV5Z7Sw4KgqK2_Ybl121Zw2CU,4127
266
+ synkit/Chem/Mapper/solvers/native/cpp/src/supporting/edit_support.cpp,sha256=EgeR4vbc7Jz_1p9sOjPy_s3wwsMVc5kpz0K5vTLp_4Y,9015
267
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification.cpp,sha256=zfUwPbG9PVwtZ1KTuwjCNhcNl_7QdBt2IJHs3axLmdU,25271
268
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification_pipeline.cpp,sha256=iNYTHX9BITmK-vbOS3pBfgSQnDJuy7qgXyptksDqN2Y,6735
269
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification_stream.h,sha256=W7R5q_4WSUMxHKc7aQ1yE7FseYTTce5mC9afZLu-_40,501
270
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/cpabs.cpp,sha256=gTJIcFOndosd3yc4rsFW9OtoQS8xx17JxCfXrm_1a2w,23391
271
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/edge_deck.cpp,sha256=CoQW7pVahP-qpNmKvJIblDHwkHbXSNlLISB5Wma7ByA,26077
272
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/COPYRIGHT,sha256=oU_i-3bmiUqOslOGSLZrUEQfLJdnqXmOn7NU4Pi0mA8,2278
273
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/LICENSE-2.0.txt,sha256=Pd-b5cKP4n2tFDpdx27qJSIq0d1ok0oEcGTlbtL6QMU,11560
274
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naugraph.c,sha256=be2RSZ8rEzz2fFIccMlx_XSLG1S4AEbjzNJCVVT04KM,27048
275
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naurng.c,sha256=0r9Q_8dPd4FqvmPwz6RJutlMIsSeUbcUHOqrzOHVQA8,2974
276
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naurng.h,sha256=uuHcPhM828Rz9AbuwTIyz1jDeMsa73LK8wUvxz115II,1659
277
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nausparse.c,sha256=TW-bFnxvRLNVOvRP6R4XoWPFKv8edb2inHTw2WXgVPA,57861
278
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nausparse.h,sha256=X7M66jqWlR56WyZY7yQbLjMgoZdaRPNfnfSabEt8RoY,5882
279
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nautil.c,sha256=N6_ojigODUlw2_HIN9gKzRxx9xjXJfV5gV6-I-QveXE,29662
280
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naututil.h,sha256=sfhqNSSURG5txLgRBSYvGHZ9pCYjF1gtNf546r2AXzE,17001
281
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nauty.c,sha256=YUnx3t5YHLOqPD4jpNlPQoV-jNL2j5rRY5jZ216x3zc,49912
282
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nauty.h,sha256=Z6fHHy2VzluIPZZmRGodO-tSYnBRAuzPCF-ohttNlyc,66994
283
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/schreier.c,sha256=uvEFR1TU4JeJf7z6_0KYo5aGdljqXWuEd7J1YJRMAuQ,30577
284
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/schreier.h,sha256=kW7z9YX-059BbBprR0dAoxyOCjJwvZloPVHhw-rHdlw,2755
285
+ synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/sorttemplates.c,sha256=g-johVOM--l-bdW4bwTeStr3O78zSmFfsaom_Yv5tQk,16299
286
+ synkit/Chem/Mapper/solvers/slap/__init__.py,sha256=xNxYyBopirTyNDpaRKp0oh03mALn-oh3_lzATHQM-Mc,975
287
+ synkit/Chem/Mapper/solvers/slap/lap.py,sha256=sMq6nZCYDmwCp3l-E1n8UmZIdm0izWbfr_0cNmd-JUI,6705
288
+ synkit/Chem/Mapper/solvers/slap/sequential.py,sha256=aDozCjWJZbGi-rQpJWVRd4Nj9FufJYYVHAkNP7FedHk,26082
289
+ synkit/Chem/Mapper/validation/__init__.py,sha256=xwweFACav4UjmYJLszRm-DFKcpmitUsvqbMUQzYWr2A,71
290
+ synkit/Chem/Mapper/validation/aam_validator.py,sha256=1Ykggm-mEv2lfY84NSlFdaH-QTs7mQPXEX0agvo9ksM,17111
291
+ synkit/Chem/Mapper/validation/annotations.py,sha256=htU0AnK80TnJUMSfoC_ST58yDM5ZXOsC5H9ZnRyo9V4,11075
292
+ synkit/Chem/Mapper/validation/bonds.py,sha256=3nLPreFrsWJs6AxUOjwymdjYuV1F7z97Q0JpI-L0TLg,4987
293
+ synkit/Chem/Mapper/validation/cohorts.py,sha256=ICPettJHItv2f4f7i930o5WaA0jp6smA3yoK96Qd3Wc,2912
294
+ synkit/Chem/Mapper/validation/identifiability.py,sha256=4VGLc6gefHPFOOxQ-qDB-lxZt4kkr20nSerig14qBdc,6347
295
+ synkit/Chem/Mapper/validation/numerical_scope.py,sha256=uv7lJn0V4GaKiN6EsMo-W2r_7kzo-qn6qZKNQPy-FOc,1937
296
+ synkit/Chem/Mapper/validation/orbits.py,sha256=MAQhqDLw9ChSD73MkGKTpW9qpFqm2ZMG3CaxHlCXiRc,6135
297
+ synkit/Chem/Molecule/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
298
+ synkit/Chem/Molecule/_chirality_loci.py,sha256=bcVE_71AQkGHUC8vS2GG0iCOJX9JYTgYw7lg7Wjh5sM,5877
299
+ synkit/Chem/Molecule/_chirality_types.py,sha256=BICb82y__5lVBbO4mFaU-vgENSZCdkgjtgZS7PzmHv0,8884
300
+ synkit/Chem/Molecule/_helical_loci.py,sha256=anNXIDzpFg08LraDA6YDxD5-69QBSCiSiRIfr1Oj4rM,6148
301
+ synkit/Chem/Molecule/_stereo_axis_evidence.py,sha256=vk-fMr3yxSStdsSxWxfLOY2PrUSShxDMMx538Le_e-o,6867
302
+ synkit/Chem/Molecule/_stereo_element_detection.py,sha256=85CZXbZClp0TIOS3SLXCki4Bqq3lpf1RSuP0EJmTaWU,7054
303
+ synkit/Chem/Molecule/_stereo_orientation_constraints.py,sha256=r4hR8J8dQ27tEpDXfDTMwGqv94LpmDHANdLynT07wrk,16970
304
+ synkit/Chem/Molecule/_tetrahedral_carriers.py,sha256=sM-Uxa4A7sgFsyJnpJrXDC1aOwX9vloZRo9Og9X6zQQ,2033
305
+ synkit/Chem/Molecule/atom_features.py,sha256=le9LhDGjsOPXFv3LPoD-ot2uOF0WltI5FX_QqwxfiZA,14038
306
+ synkit/Chem/Molecule/chirality.py,sha256=XRYz_VC0vNZ0GSVHOyUfXX2IpqJzpmD9t91ozTZowaQ,40878
307
+ synkit/Chem/Molecule/cip_assignment.py,sha256=c3mEh4xYzq4L1uon7-HaEhoiWnLukx6y6vo0HQBwmfk,20093
308
+ synkit/Chem/Molecule/cip_ranking.py,sha256=3r9I6MNAQ5uodsw0E3Lp3W0s_uNyhMCyQuwXoQ3fzvQ,29013
309
+ synkit/Chem/Molecule/coordinate_stereo.py,sha256=OTH8fPRMFYD_Se4ouVjZPLjpS4GWFqiGculbTTcKntY,17640
310
+ synkit/Chem/Molecule/derived_stereo_naming.py,sha256=7oLSIp3qGh51Q4oKKhmhhTWQKMwnupQ_5ruyyIHAP-k,5835
311
+ synkit/Chem/Molecule/descriptors.py,sha256=1IG4SU8WLMRoMbJ_rfaxxhWKvzbXl0UgWYXBIAGryHQ,15178
312
+ synkit/Chem/Molecule/formula.py,sha256=yQJew2zgnO-uID59XziqTJbFgbPOSgX7ZMr0K6Nn9CY,9504
313
+ synkit/Chem/Molecule/global_stereo.py,sha256=j4qI9p2b7t0H3gZ-RwLTXAzcZtGDtOOQ972Y5IHtZy4,6040
314
+ synkit/Chem/Molecule/graph_annotator.py,sha256=fwLgzl06mn4-gfE8Pi3EvitvklsREdnKD5bn7s00M3Y,11521
315
+ synkit/Chem/Molecule/standardize.py,sha256=gMw105RqorC1SRTbUrL9SilAud9dwrmk36KH38z2pMo,28934
316
+ synkit/Chem/Molecule/stereo_evidence.py,sha256=baniv7jxbVqUWMD_2GcMcHo93IJSEO8iguttlUh9mIs,6715
317
+ synkit/Chem/Molecule/stereo_perception.py,sha256=U4fiGV_tXzOfX8dnowjAFrE0yiHWe-d1lCeHi3RLhRo,38513
318
+ synkit/Chem/Molecule/valence.py,sha256=WohtmJm2NeqHSeOuOXsG7rrLnDKIHQHhye800acQisY,4875
319
+ synkit/Chem/Reaction/__init__.py,sha256=-JDPbSMc1sy66FaO_7sUSO_S-58uxTT6RcxPOL-2cA4,564
320
+ synkit/Chem/Reaction/aam_validator.py,sha256=HLuyl0BjWcmI3Jxkmx-_e4aquD4LlhcOA7Edl6RKGvc,144
321
+ synkit/Chem/Reaction/balance_check.py,sha256=skb1f3oOrZcgZvj_z4gjhan1QJJ8Vf_hlfpYDs-LvGw,5694
322
+ synkit/Chem/Reaction/canon_rsmi.py,sha256=5nI5KPhuE8gQagWKXYPAvGI4t2IBQ4Bm4ynuZgeCN6U,9378
323
+ synkit/Chem/Reaction/cleaning.py,sha256=4uLOdMQ-c6Oy1JxeeSs0olrxznWndvRWVTS9Qvd1iSg,2018
324
+ synkit/Chem/Reaction/deionize.py,sha256=jPLkhfRGoMdRsqmA0-aVpRztHu6tfnhkGNCF9pxNiZo,8094
325
+ synkit/Chem/Reaction/explicit_h_audit.py,sha256=NmU5xzYPcq2igFtnMBZ5grW5UgNqNpW9n1bSeR77FsU,8493
326
+ synkit/Chem/Reaction/fix_aam.py,sha256=xQBNcLUZG9OatI-viOtrbUd9EkGqzzgYoIPqREPijj4,2356
327
+ synkit/Chem/Reaction/neutralize.py,sha256=bw1ztOCNVmRHredVnuGq0fZrpT6nKa1pKIQvmCQqH5k,8358
328
+ synkit/Chem/Reaction/radical_wildcard.py,sha256=3C15pmvqHroWUBmxxgDJA9Lqs6AtHtnoe-mFe-dcsg0,8958
329
+ synkit/Chem/Reaction/standardize.py,sha256=nCV9PHshc7p3fRC09AKf86fOJzoLEPYTrEDiBJu9wkc,7528
330
+ synkit/Chem/Reaction/tautomerize.py,sha256=0cCSI0a1PIrZOiM3b0gic-IW5RrQndFNjJ-BEegNqh4,8119
331
+ synkit/Chem/Reaction/Mapper/__init__.py,sha256=SsHnF0nH8Yym92hII924aDJc5HdRxU7aj_v36ZjpxyM,1707
332
+ synkit/Data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
333
+ synkit/Data/gen_partial_aam.py,sha256=mNhWeXgjuoFjv_hzorCeOWVAiAQIOu4DWzOOPYX7lpY,5568
334
+ synkit/Graph/__init__.py,sha256=CnFQjsQ550jhzDgQfZbuzMJ9JZQVES2jEUeyi7ihA4c,476
335
+ synkit/Graph/canon_graph.py,sha256=jl7y71Xwtu6NvvqaVKoRx-KP6ZoUVSyPz2vdnnv9I2I,433
336
+ synkit/Graph/syn_graph.py,sha256=aP5NYpz0vw0NC-SQ0pGKzHQ-JxRzP-c1DQhgD64_sZg,7143
337
+ synkit/Graph/utils.py,sha256=btBNMjhLdE-IhYmepxbuXpHickM1yfLa59QgxO6XLfE,12002
338
+ synkit/Graph/Canon/__init__.py,sha256=dr5iOfar0u8T19bZsG4BUDLOC6K3waH324ZwuGQpl8E,418
339
+ synkit/Graph/Canon/canon_algs.py,sha256=UjbcuLMqvGD4RiDWJy_rAXMSTt1XWfgzZjUFAoC-A44,7905
340
+ synkit/Graph/Canon/canon_graph.py,sha256=oQlr03sxNbsOQ1j73N0ovl8B0yL7JMK9zedJRt_0OFo,21163
341
+ synkit/Graph/Canon/exact.py,sha256=v5pTVJ5fVRf0ps4C1XVs2IJNAD4yz2QmaG8yl8IIPe4,39329
342
+ synkit/Graph/Canon/exact_refinement.py,sha256=WrQFdwj9trCcZNRtiphYKvdMidP6gMMOsBRZJRFzLb4,13722
343
+ synkit/Graph/Canon/nauty.py,sha256=6IiqiSyEmhtY5VsLKm_QMljqgaXWisICNvq3UW-rkYc,5202
344
+ synkit/Graph/Canon/_native/__init__.py,sha256=uVO1iSAfEXYcZvpb_aS92TEOfqYmo_Ag95PWgiR_d5M,417
345
+ synkit/Graph/Canon/_native/build.py,sha256=6OZgx9dNNXcfM2GlZfYt3M-hCCFYlZ9xeB5bvTJP-wA,4316
346
+ synkit/Graph/Canon/_native/prepare.py,sha256=p1R2ZFxkTUg4e5qjbJw0R4RDkdWcv18cX0dFZ-1yuiw,2035
347
+ synkit/Graph/Canon/_native/runtime.py,sha256=n2BptjNqxQqR1hEl-o96XV4HElx_vpfwv2z5knRQxig,5559
348
+ synkit/Graph/Canon/_native/search.py,sha256=VQJdWSfVsNEqX7inX4Wo3wSRu90iWWE7VqqDWkDMwZI,6579
349
+ synkit/Graph/Canon/cpp/CMakeLists.txt,sha256=n7pUt5jg-qoo6xuL6eOKZoBwjn6Sq5SYOCOQtzqILNk,1914
350
+ synkit/Graph/Canon/cpp/README.md,sha256=_6DGLJC5ROVvPwMPqkEvIFuqabtZFJizOQJ73yQy4II,7051
351
+ synkit/Graph/Canon/cpp/examples/canonical_graph.cpp,sha256=T1zSQuAofEiN49JmBNLFheeYf1-C-55837uyQUbtgeQ,750
352
+ synkit/Graph/Canon/cpp/include/synkit_canon/canon.h,sha256=BLaN_p7LWYPUC6kFlFA84PkMjDEzejJnF2cmsJhfUC4,3200
353
+ synkit/Graph/Canon/cpp/src/canonical.cpp,sha256=uk360BBGxraDkAwVUYNhQLTOpcTFmcbN7kQYwIjRgaU,17197
354
+ synkit/Graph/Canon/cpp/src/symmetry.h,sha256=pQ7yNKYrdVFw_vd37CbgR2y8D91IEMPbgxQoIdPlnsE,2747
355
+ synkit/Graph/Canon/cpp/tests/symmetry.cpp,sha256=3DsEUjke1nNiy2THD9FLTBKZUNvMW9ptyqxzeXEPyAs,3902
356
+ synkit/Graph/Context/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
357
+ synkit/Graph/Context/hier_context.py,sha256=ZTNTJC-N3Y768AvkzQ9eeJK8ZXA4UtVhz1hkR_xbCn0,10464
358
+ synkit/Graph/Context/radius_expand.py,sha256=WpfVAPS8_M6gJPdCJ0O3mXXyirh-2E-UnARGwY1IqMA,10330
359
+ synkit/Graph/FG/__init__.py,sha256=nJFRPtTofer5ObSuohOw7A0zeL_BwQF-q46K0uGFWXw,685
360
+ synkit/Graph/FG/api.py,sha256=STe2uuXDVhA29x6GhEUoh90gVO1M7ZKylU-J80WguA0,1409
361
+ synkit/Graph/FG/audit.py,sha256=YsWTB5ZfhQ_d8tatKzwFXTb4Vt6GBhSQR0yfffFO7RM,5517
362
+ synkit/Graph/FG/catalog.py,sha256=ITiuFZEhYIlCulaYVu9yvWN4ZlCddZ_Dsejojr7T4r8,29667
363
+ synkit/Graph/FG/detector.py,sha256=Lj_LKocUbr0pFDht-vzrPt58a7sYAAdx97rt_ukLw_I,11549
364
+ synkit/Graph/FG/model.py,sha256=oBSltSEqYP8T2RAJOaa_R5wApXq1u4NWiM20zf3BRi4,2986
365
+ synkit/Graph/FG/recognizers.py,sha256=-VuKDpvNJmxQH8TKqyEwRDiGrr9Rqv1vXcasjNMoPgc,8833
366
+ synkit/Graph/FG/ring_system.py,sha256=DjF9Pw6HGg3SQNQFGjLNGOe5-4BpIXuRZ9N93oZIhvo,5819
367
+ synkit/Graph/Feature/__init__.py,sha256=fxUt0MQ1h30_JJ9hnHvGezvtRgnCIjfT-CkhmU4pYeE,143
368
+ synkit/Graph/Feature/graph_descriptors.py,sha256=MjVAbYlgHok4pAd0ik2tF7bUtSOfaesxYoZ3Kk22aXg,11822
369
+ synkit/Graph/Feature/graph_fps.py,sha256=sfLb6mkAINQar3dNd4L5tCAj5ElG9R-q_R7aP8Jr-vo,3729
370
+ synkit/Graph/Feature/graph_signature.py,sha256=5lIawH8xG6yqXugyPLRiAt6AGaH-GrWwZ49vt-m7Y-8,10247
371
+ synkit/Graph/Feature/hash_fps.py,sha256=VCRmcMDCM1twQ40RaRqEGi03pPJVOeEm8WyHF1FNiwY,5239
372
+ synkit/Graph/Feature/morgan_fps.py,sha256=MPAWBNTDkK4JUPT2WLqIWzUMUmf1xcBsglJQYbAE2ak,3425
373
+ synkit/Graph/Feature/path_fps.py,sha256=VumaUqhFMyIi_Wdu5nvvbO9Yl06b3rCFvsUtBRjVdLE,3316
374
+ synkit/Graph/Feature/wl_hash.py,sha256=u9ECimRjJmwNuTn8CMAgba0IdjPYvNoZUGslptj-Skg,5439
375
+ synkit/Graph/Feature/Descriptors/topology.py,sha256=r44J2Jfd8YspyyMynYIpSAup7526maRbcDtXVN_j360,32696
376
+ synkit/Graph/Feature/Fingerprint/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
377
+ synkit/Graph/Feature/Fingerprint/wl_rxn_fps.py,sha256=dmszKWVktpgJjrq90SPu0vkuyXSuexVMd8jvTKNfE6k,7816
378
+ synkit/Graph/Fusion/__init__.py,sha256=DmRkMxnQxi0_BjFHSDxCcawUkWosSFScgOP2rk31BK4,2292
379
+ synkit/Graph/Fusion/candidate.py,sha256=qxzWh6aBq1Dju6W8-VIY24eTZaVIfH71iAumdZLV5bU,20900
380
+ synkit/Graph/Fusion/constructor.py,sha256=MJUwQb8_Vnz9C9iz4f9uDxhCo5Pk3_kn9812qd6tsQQ,33607
381
+ synkit/Graph/Fusion/identity.py,sha256=UZ9I_XWC09phU-VaRT9XDplal-iYxVp3rTV7W_GN15I,6284
382
+ synkit/Graph/Fusion/interface.py,sha256=yb90mxfOUYX6C1O5BX1xOQI_h2KFE_3TGPEXo1RJJR0,27217
383
+ synkit/Graph/Fusion/search.py,sha256=cYQX_byBr_dxYTbU-3XQGIV1d8se5-8RoFVQb2H5ayA,8223
384
+ synkit/Graph/Hyrogen/__init__.py,sha256=BvIDmQE_RZWfLD0GxZiVCLhyx1oCpZz8H5EZDXNTuDg,239
385
+ synkit/Graph/Hyrogen/_misc.py,sha256=-xDs1xCBHWWo7t9_MFJZ_sDZ4EJ5P_19MGt1ftWtyaM,21127
386
+ synkit/Graph/Hyrogen/hcomplete.py,sha256=2MngNWhgf7Z8Pc8Jyo5JIR2NSZJP8UXePxUdrrOCnAk,35781
387
+ synkit/Graph/Hyrogen/hcomplete_legacy.py,sha256=3dXvxoy9xEqt9ow24Xnt18Gy8YZhkR6PZwDARgsSYwE,12630
388
+ synkit/Graph/Hyrogen/hcompletion_algorithms.py,sha256=cUB7ePG-_w_PHP_hd0J7mZyMjuOFhGYZ1k5vhDg4nY4,23724
389
+ synkit/Graph/Hyrogen/hextend.py,sha256=sdpA7BkG4J1rgKfwmUqc-9fU_7rm62JYOc37OmDmIfM,22408
390
+ synkit/Graph/Hyrogen/hextend_legacy.py,sha256=iVjuQoD62VxXN78tglsNZ6XdMgKdrQw095rEX8NYavQ,7428
391
+ synkit/Graph/ITS/__init__.py,sha256=WzWLAO25AKEoMFpCs9XBr2i3_jf-BfECuvvmH6uwLac,157
392
+ synkit/Graph/ITS/its_builder.py,sha256=u3fAqOK5JMP0rsVuvquiNEqx41nc_t--DGrOF_jwMB4,4845
393
+ synkit/Graph/ITS/its_construction.py,sha256=qVwXnVu6u6poRqjY1Vh6FmZQMO5ggtu5O4LcKS0Qe5g,24413
394
+ synkit/Graph/ITS/its_decompose.py,sha256=SfqQLhGdOS47XfsF0FkVl7rkpKAthHG3XqyvL96Ijl0,20761
395
+ synkit/Graph/ITS/its_destruction.py,sha256=pXoDeR3IcEfej9aHEu4cIt4I2vOCn-WZuuCJ0rvpKVo,13584
396
+ synkit/Graph/ITS/its_expand.py,sha256=B2q8xI9Ayd2DsFVhsVPatweuFCEQR1dXkoAOterMBOA,49418
397
+ synkit/Graph/ITS/its_relabel.py,sha256=DEfcvDESH6xQjdvhOGUoV-29tvFQQFBkXoSAKQBdgxY,7040
398
+ synkit/Graph/ITS/its_reverter.py,sha256=u-UzZXPzElq8mCEHWM_hzhQmV43Vtwbn8bGmfjrjtUc,11962
399
+ synkit/Graph/ITS/normalize_aam.py,sha256=9zMp9wLP53VbJ1sFNuJV6eroQOUR0sMM25AXlm8yzbk,5902
400
+ synkit/Graph/ITS/partial_its.py,sha256=_gfoR2zFzJnYW0Oag1dvg86uKC9aG_fIKXnbH9X3LlA,9987
401
+ synkit/Graph/ITS/rc_extractor.py,sha256=ewJNRM8_c9yrIemRfZ1Z_kajPqThErPec9K_Lyzr5RQ,21922
402
+ synkit/Graph/ITS/stereo.py,sha256=TBdTwjw6brA9FkqKjNlKw_txOf2gIGLBJcc51C0MuMo,2062
403
+ synkit/Graph/MTG/__init__.py,sha256=eGQqCPLWjsVyrcByVegDZu6f3fHoTPzmmRu7ov3ifMo,2701
404
+ synkit/Graph/MTG/gluing.py,sha256=sVEZOuUel4JFn7DzcqlpoN_-oq-xDqG9ipcqEc12Rd8,16668
405
+ synkit/Graph/MTG/history.py,sha256=oNc3mA3QWjLlB-DzXE8OVongxPMqzeiaAMIs3YNUNJM,35753
406
+ synkit/Graph/MTG/inventory.py,sha256=7Q5c1SscD3sjwveFElmWhdPWjbeWr94Rfp_9di0JcX0,4588
407
+ synkit/Graph/MTG/local.py,sha256=OYwRdFNVDQp2t2PZ3r2IEB3fdg5Qpl4dovn6nc5tAz4,17873
408
+ synkit/Graph/MTG/mcs_matcher.py,sha256=bayVuNKF367h-uW8idn3fOQxTwc47ADPc8PjDTmi2uc,8756
409
+ synkit/Graph/MTG/mtg.py,sha256=u_RP_hAH2PR4pD5LvS72D8jwbExtZv78hakG094ZbFg,23530
410
+ synkit/Graph/MTG/mtg_explore.py,sha256=l5jwMO3sEzY4FSpOfGlGxRocLd-Q3N_Mf2XKMo8mfts,2728
411
+ synkit/Graph/MTG/observation.py,sha256=3If0yaaRiHYaYDx66CbCEJ1WCvju-9QJ1aOgFJT_Zxs,8695
412
+ synkit/Graph/MTG/process.py,sha256=kAokqiW1qp8rdxqLGpS4WxJmOdEGZH-mARdE-xmdeMs,22422
413
+ synkit/Graph/MTG/queries.py,sha256=-gtrwwjPkikieeYo2RLfCtsecSdznKUK-eb6ZeNq2xo,2502
414
+ synkit/Graph/MTG/realization.py,sha256=fk6-41W7w-CaWTzm40E2zvGc5yE05qQu-OYTrfiySVA,3715
415
+ synkit/Graph/MTG/series_parallel.py,sha256=6T7uIY0NxL7hhMZG_H1IVGrJ97nyPiVKYRfSJV0W1QE,4132
416
+ synkit/Graph/MTG/utils.py,sha256=Dqj9IwrlN93krEUUdGwkytxca5K5gMGyINJYFZIqLhE,16309
417
+ synkit/Graph/Matcher/__init__.py,sha256=d6q99E2GlkPMlBdWJ-Lba68NbNuGSBV0ClpRXLRJwK4,290
418
+ synkit/Graph/Matcher/approx_mcs.py,sha256=yn4ESBfZgQjrLgXaTx_pR_wRtGeZnzsCTYIMS7cwGdc,45651
419
+ synkit/Graph/Matcher/auto_est.py,sha256=JpCyXlhlcPjCJ-yijfFnA9s3k1tVODzpGXArzJQMOG8,25593
420
+ synkit/Graph/Matcher/automorphism.py,sha256=ThXG3MPHc697E-g8qKyNLVTNERBwB6uK5wcWa5vBTZY,11735
421
+ synkit/Graph/Matcher/batch_cluster.py,sha256=7Vh-kStEBRAqAhJyd8Z13AW3dLqL8bKwOZD72ucGJpw,9159
422
+ synkit/Graph/Matcher/dedup_matches.py,sha256=nXbeIviznS6taiMx9gxd_aarigAB4uZ2aFeLg9iwt5Q,8336
423
+ synkit/Graph/Matcher/graph_cluster.py,sha256=skO4AAjL5JoF_Zsg9qpCDzcTKtEoUMigLrxFwq_jNo8,8009
424
+ synkit/Graph/Matcher/graph_matcher.py,sha256=YGgSz3Rt999jJ59mD-kCbBmYt8wLlsQh_S7VEr_m7HY,12058
425
+ synkit/Graph/Matcher/graph_morphism.py,sha256=z6rxvqsIwywPNIDsQDBAyJ9vbzy2RiRlvK4CJ1Q9VVQ,16669
426
+ synkit/Graph/Matcher/mcs_matcher.py,sha256=8q0Pkh-xxBv5lnZF0ltVQ2nIkflAjAsomXRwFtLrFE4,31078
427
+ synkit/Graph/Matcher/multi_turbo_iso.py,sha256=GJ9pCWDBqKZwEK9GZJO9IzhQqT6_xT6REQ2GCwdSfGw,7303
428
+ synkit/Graph/Matcher/orbit.py,sha256=23bqCJ-vnDjyIAquf3V8JwpLr-CYwV_0fWaUzwvY9OE,11855
429
+ synkit/Graph/Matcher/partial_matcher.py,sha256=fhrb4H7qH9_1xIoOZ-ub18jePnYY-Q2NmWogqWh0xuo,27165
430
+ synkit/Graph/Matcher/sing.py,sha256=t8yJyLUod_-4aFotTTUb6jyBJTaWTS3nC-zrOzeHA-w,20793
431
+ synkit/Graph/Matcher/subgraph_matcher.py,sha256=38-a_igQhKZopE7XERKD_j4YXmC45DphTFUisUUIxy4,31012
432
+ synkit/Graph/Matcher/turbo_iso.py,sha256=cGcwdNjmA6kjsDVe5UT9ICvOgpRzYoq0g6AtEcvKFMo,10950
433
+ synkit/Graph/Matcher/wl_sel.py,sha256=QaDUYZS9qPomaV-OI7LXhJK3XVpsx1Qa45dzn3qAVZQ,20482
434
+ synkit/Graph/Mech/__init__.py,sha256=GcmDzSGBoAK7gLfvneIBcsYLAbG2d__muQL0lL_iUTU,710
435
+ synkit/Graph/Mech/conversion.py,sha256=GuU2ClRMVuldKEwdPmlVJcsXOiqkUcwy9bcXcjZD35Y,50148
436
+ synkit/Graph/Mech/conversion_debug.py,sha256=mxCG5ZGNIek84g5V7d8O7Wj0oOCDyfIBTAPVl3O1oXU,6956
437
+ synkit/Graph/Mech/electron_accounting.py,sha256=WawCLXrTeVSV7bdn6wC_N0AF-_QBszf7JNZbvDm7krI,6806
438
+ synkit/Graph/Mech/lwg_editor.py,sha256=5oJKh3hyZHwV7BvdpSkxn4BwjvTRQ9_OpGnRZySZyf0,15012
439
+ synkit/Graph/Mech/lwg_ops.py,sha256=wdxq16wmN-TGgczFiMO4NF-qxLxjB1xJqv8JxAsJPiQ,10312
440
+ synkit/Graph/Morphism/__init__.py,sha256=F9zOqrUrJjiDLvxGtcCIHdJZyCYR9BtGGO0eg02TIqE,2411
441
+ synkit/Graph/Morphism/constraints.py,sha256=CyMv5Eyxxk5HnYdL38rqgvhGu-scYsLvlz0Fb_6XFJs,17375
442
+ synkit/Graph/Morphism/llg.py,sha256=TfGL23UM8BHAR8Urk6T__LO3ecZ9saDeBfbGg7GFqs8,37335
443
+ synkit/Graph/Morphism/morphism.py,sha256=K8Im9GT5MQeGhBtoU1iKyUBCwR7lLXwAQA16ATZLeRg,13992
444
+ synkit/Graph/Morphism/stereo.py,sha256=2ksETW0zYSZLFzn0wVw9TzGRqyfHUnZgH93B0AFOlRE,8927
445
+ synkit/Graph/Morphism/stereo_morphism.py,sha256=C4zRDr9uWpL5u-aVKHvGPbJKMerCFswpTrHIHI5eRCs,14490
446
+ synkit/Graph/Morphism/stereo_morphism_helpers.py,sha256=tjsHjX2cY4SDQQ0m2oosLDPs_Mmp9ZPS_G2Ju2B3XrI,33123
447
+ synkit/Graph/Morphism/stereo_morphism_types.py,sha256=ASME3POBJNm8r4idduYDDHTvrlrA3mkv2cYvz50gGt0,4277
448
+ synkit/Graph/Stereo/__init__.py,sha256=leXfmsXP6umpW9cUUSfD2waK4EzbSaNJtTaecrQnUEY,11210
449
+ synkit/Graph/Stereo/_descriptor_core.py,sha256=itGuQJRxFj6Mp0atXMyRLXhczUdGl6ZBo4xVrlQc1Io,7022
450
+ synkit/Graph/Stereo/_descriptor_serialization.py,sha256=lqOi9zNaflZP5gtJXus32XGeAcI9r0x51eSLLfkZFKE,5157
451
+ synkit/Graph/Stereo/canonical.py,sha256=LWbyQW15xD6OU9prOftOHzI4q0VUTXie1iR0Eg7kshQ,20970
452
+ synkit/Graph/Stereo/changes.py,sha256=fkgcksuBg7AHQ4kpE4m81SGHaUwDpa8g8asww2Ipxw4,35296
453
+ synkit/Graph/Stereo/composition.py,sha256=UfWGLGyFe2TXc6KZSwq7vvf62wuw0c0qF8LMM2F4FvQ,13641
454
+ synkit/Graph/Stereo/configured.py,sha256=47b-nZsXIstOENV-rcuYu10gGCQhSkZtqA9R0fWu5A0,31237
455
+ synkit/Graph/Stereo/couplings.py,sha256=22WRBZKLKl_iyfG5pqLENEQAFT7IM4NO9SgmHcsqIK0,9719
456
+ synkit/Graph/Stereo/descriptors.py,sha256=zKD6W0f82FxJBCc4k0xfm9gDV7IEf7FDQmLRdL2lDPE,36523
457
+ synkit/Graph/Stereo/enumeration.py,sha256=gJiU8y0d7gbKBGiO1EWYNITZGryf98NWM4gO3ROinfs,20908
458
+ synkit/Graph/Stereo/extended_descriptors.py,sha256=gWavmPZoVNhPRWblUvzIrh6i_1RvnxlBi_RoJpyUsjU,14349
459
+ synkit/Graph/Stereo/global_configured.py,sha256=BxplaCRPH-g6Y27e8yiIW7gxeIwPZB_fj6djSR4nHqc,5454
460
+ synkit/Graph/Stereo/global_stereo.py,sha256=VEVepoS05Pt5vZYQFJxseLk5FhY07XAeUqla-ZQtyNA,11629
461
+ synkit/Graph/Stereo/identity.py,sha256=igiAHvjR0z2JP2j5zUEY8WuFutDuQ3hDI5-RLWnWtZc,23270
462
+ synkit/Graph/Stereo/interchange.py,sha256=cDU9wQuqmu1Ay-8k8wkA5HGcaEV_9Ov2Br7PCQCxgmQ,17728
463
+ synkit/Graph/Stereo/legacy.py,sha256=l3IT8x3XzQCu8piBTHGAX7HvVDztciRCNNpgM8W2pu4,14742
464
+ synkit/Graph/Stereo/matching.py,sha256=0QRM74v902e2fZMLxrqBaPKxPuq6c6wIFzzYNBCvhJs,30189
465
+ synkit/Graph/Stereo/native.py,sha256=D5siIj4ZGYOSBmSo-HbrNBlOT4Z518WgUDuYys6Gsk8,8137
466
+ synkit/Graph/Stereo/orbits.py,sha256=uFW1P1seFjm4XPTAUlcb4WtCIl4INSPxxVTLu-x0kBE,22715
467
+ synkit/Graph/Stereo/outcomes.py,sha256=zuUP51F8PceUC5fN2DG_rzixNsTWvfXXRB067eNINxg,3886
468
+ synkit/Graph/Stereo/pairwise.py,sha256=ihUWxAppLFPugGJBYsyyolwlIFYw2gKZeXmohYPnt2c,13415
469
+ synkit/Graph/Stereo/rdkit_adapter.py,sha256=6JG5QKBeDz7kUgDCy1635Hmjs48PmUNXSZGVwnJPDj8,27768
470
+ synkit/Graph/Stereo/rdkit_identity.py,sha256=rUvzp5YIhriZhasFE_QS_NYuM_8czn7CHYuKlI1vqTg,4470
471
+ synkit/Graph/Stereo/rdkit_resonance.py,sha256=kUzZBtj9uQ5cVdIBbLC9AoPDU9S0nQ8W2ynXvxlc9m8,5701
472
+ synkit/Graph/Stereo/reaction_interchange.py,sha256=EzWN4R1HreLNIi0wct8sNO8p0NIJr8PTeF2xpgDTrqY,9024
473
+ synkit/Graph/Stereo/semantics.py,sha256=7ZJL1qWAM2zezltb0Nky7adxnqMTE-02hEbcFeLTrPQ,10555
474
+ synkit/Graph/Stereo/supports.py,sha256=cHiLGGO_teKilrfG31qYqu7lHmijnC6CUZYGW9WjUoo,8629
475
+ synkit/Graph/Stereo/wire.py,sha256=9pe7xXgKqMAGQmGB3mytckOLKSzu7Wyz53JIvYN4Q9M,12653
476
+ synkit/Graph/Wildcard/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
477
+ synkit/Graph/Wildcard/fuse_graph.py,sha256=t6BOoQHyFutZ-kB-XmVNC8IuQ40YXTl96KeHoJKj2x4,6206
478
+ synkit/Graph/Wildcard/graph_wc.py,sha256=aIrWgM5-OO-au8_VIfV8SWluW0ZqB1jr3s1xJwHOu4g,10587
479
+ synkit/Graph/Wildcard/its_merge.py,sha256=23-N46dvNptZsqmqd_TnX3kXDBQNBaqo9_ybzpTFgOA,36056
480
+ synkit/Graph/Wildcard/radwc.py,sha256=XYmtjGaUjbT1JuOj48ZQJRPccniSOrtmghEgc6vxlvA,4382
481
+ synkit/Graph/Wildcard/wc_matcher.py,sha256=oXrAPRdWD2WVCN7x_Wb7BiL_twIdU7aTYOwOFyIxwh8,21652
482
+ synkit/Graph/Wildcard/wildcard.py,sha256=ZM-1o3pvgJMK3_nbFL93LODjEW06CLS-OdcopfEEkHo,8840
483
+ synkit/IO/__init__.py,sha256=f7eY93DQ0g7sd_v5i3ELT2nKKk5pCyp5UUaYJ8kNAxA,104
484
+ synkit/IO/chem_converter.py,sha256=mM-hIR9NmVc1Sllsa8ZVq75tpZ0DcpZB4RrjX4qIKls,34219
485
+ synkit/IO/conversion.py,sha256=7ZKGYZaSiF7YfIax1oalz-9JWFYqLDfWIG4xww8nOYM,1257
486
+ synkit/IO/data_io.py,sha256=yxvDhOUYHnE454VHKZiasvBzmfQcWGLGAsJllkAglyk,8939
487
+ synkit/IO/data_process.py,sha256=hXI2VwApX8fVGXHkQV0yuJF1nKGTx89EefgaiPYO19s,5335
488
+ synkit/IO/debug.py,sha256=WWw4BFH4hGkpU-_h8w--Kad4j-l7OgZSMbSX3OrlA8I,2656
489
+ synkit/IO/gml_to_nx.py,sha256=2XDFJv42mbz6z5F95rWvg6GpNq-E43zkZTuykRluQ5s,6124
490
+ synkit/IO/graph_to_mol.py,sha256=7E8rMMrjwaGXHBvGTYHlM5816XRFCFXW5MvzRBwjsXI,8121
491
+ synkit/IO/mol_to_graph.py,sha256=6dPSJz0zJ-LZcAgvbFzo3tmwrZ7AIJ-SVyiaaBhny2Y,40842
492
+ synkit/IO/mol_to_graph_chemistry.py,sha256=Lja7Od2yhEDpauGfNEo2tX_Y5jVpn-DH--AUlzwyxU8,17998
493
+ synkit/IO/nx_to_gml.py,sha256=wnm6l8xEYzrNqShf3tKdHwHnvhd8RZ4oAvKzzAFnn_Q,8221
494
+ synkit/IO/smiles_to_id.py,sha256=Q3BG5W0QakL2OfdF3_nbyLtamtfbIWayq_IBswMkgPo,4542
495
+ synkit/IO/combinatorial/__init__.py,sha256=997cuVZj9RVb5ibtRTXnhFglGzaXqSHhXcUhMx5OBY0,234
496
+ synkit/IO/combinatorial/gml_to_graph.py,sha256=8bMnCh3tntf9OdZr-hDa0rVTjaVqWYI12IZhO1ze_L8,9555
497
+ synkit/IO/combinatorial/graph_to_gml.py,sha256=lxnCyDYwFw2xjw3UL8dEZZ9atw0mFq1ymJXB_x-KLCk,11081
498
+ synkit/IO/combinatorial/graph_to_smarts.py,sha256=uKSOtmek7CjUWzRfdSqS41DWWk4WcjVjx1uTWRMa6fk,7066
499
+ synkit/IO/combinatorial/smarts_expander.py,sha256=SmeXOfOTt1bJsrMjF-7Uoi784xXd1jKdFN36LVoc75w,5411
500
+ synkit/IO/combinatorial/smarts_generalizer.py,sha256=eTqn-rUZPO2id8ZLwZRjyakc8DK6tlCA2lC0hDQOX8g,4863
501
+ synkit/IO/combinatorial/smarts_to_graph.py,sha256=AYjKXLq15aI3evFZV2Lr4oBkIuM-iGoHa-4bSzqHDJM,6731
502
+ synkit/Mechanism/__init__.py,sha256=bOf31rz0TmfEwHf4JDgIcYWejmCAX0NNlDzAxRAYCWo,3894
503
+ synkit/Mechanism/adapters.py,sha256=742QxHvPNgyi2yx5OeGA5fUFdXFeuYAPnPkmQbiZkuU,4645
504
+ synkit/Mechanism/audit.py,sha256=0wrG_E1GNUQM-DjNsWj-Nys9Fl6KRERssIsilGGo7Ao,11998
505
+ synkit/Mechanism/benchmark.py,sha256=EumJrySDU7BV_OlU6irG5dMZqjAJC-32TRqC4lyyDYU,24796
506
+ synkit/Mechanism/compatibility.py,sha256=1UZhrdunb_terQYagrD7lBzSi2-mW0dFq--m8wq1hgY,560
507
+ synkit/Mechanism/drawing.py,sha256=6hIU_INqRdirG1FRboYF4i249MiY8bVSjR4AsmbjW9Y,3310
508
+ synkit/Mechanism/electron_models.py,sha256=bp1lsUrpzCGofQUeMrjJVJCeZ4aI9xkXAv08qUaYdWY,29598
509
+ synkit/Mechanism/equivalence.py,sha256=StEhkHAsVGSAQn0fNquRXtMEjtJi8yvFdK1uCeuvTvA,17453
510
+ synkit/Mechanism/evidence.py,sha256=dSFWHW7YUFLWxXcBoNYKrS5qojG8GFtAmWMUK_WwLqg,10038
511
+ synkit/Mechanism/interchange.py,sha256=9nXlyEg0nlsoE6OrLfagiy5zgmzYi07V-GcY3A23dJc,4960
512
+ synkit/Mechanism/model.py,sha256=uK4nDCrg7vtJOKwQMzjEV79BETOyuW4Wo1l4L2hGE3U,36459
513
+ synkit/Mechanism/neighbor_stereo.py,sha256=LnE9k50a2crM3JKy3__YiaK3l2C_V2iokz3BYUjQdAw,10188
514
+ synkit/Mechanism/radical_data.py,sha256=y2i7wwshkGfrtKSh6mPRa0bq-sMOj-ZT5889UnbG6M0,29437
515
+ synkit/Mechanism/replay.py,sha256=kjTw5oBHH6BkTtJUwkiuuu9LxquG0kUAf1frpPR7m6A,41590
516
+ synkit/Mechanism/schema.py,sha256=1LsqNeGDqxOLtn3F763H2omDX4MBklUVaXQ2k20DLFA,10511
517
+ synkit/Mechanism/stereo_state.py,sha256=4q6CrMFJT1BswzWynRcLOXGFbSdrfOe1F6NphRlh_TY,14784
518
+ synkit/Mechanism/symbols.py,sha256=DjffF48qyPd_E_2D3YkQAqb9Qd-aHwTH1HXbJSkbLdQ,2851
519
+ synkit/Rule/__init__.py,sha256=1fTHDlq4Sexm0copuGbJjLrlsdncmgwL10amimPcMiU,822
520
+ synkit/Rule/generic_stereo.py,sha256=dZAYSrIzFWN-kMTSO6kWxIX80m_FlT2sjCO2NR48rr8,35112
521
+ synkit/Rule/stereo_identity.py,sha256=93zDt-duv_NlDKVcQ9Xws91bO5GIrlVGLMPXl2Hz-Qo,8639
522
+ synkit/Rule/syn_rule.py,sha256=RFg9WEzkz6x5hfgfZM8iVlbc9qf53hpJjkFCemjaveE,43509
523
+ synkit/Rule/Apply/__init__.py,sha256=xrwmH_FzZzIoH89dVWHYuN5wAd1u5YGE6__lSs5hzYY,659
524
+ synkit/Rule/Apply/conditions.py,sha256=QT34OssN2tmj2czhIEeG7MxpIUAoIOAVBBQDV-Bs858,1842
525
+ synkit/Rule/Apply/dpo.py,sha256=C_sUqvqJtjtwcyMr833ksCn0W5IYrJr2gU2UugCcgS4,36724
526
+ synkit/Rule/Apply/rule_matcher.py,sha256=b35olBd1wqWM8vtP5VqOLHBD0xk-naxifrE2NhxI38o,7869
527
+ synkit/Rule/Apply/validation.py,sha256=iz4l4svl5SNM_XEPqmrav2miDBHpbFY6VwFeAnpW4LI,11717
528
+ synkit/Rule/Compose/__init__.py,sha256=kz-hAw_t5WkPYodKTgL1vWcYX3B--1ZB3DX1pS3lEQ4,2754
529
+ synkit/Rule/Compose/_identity.py,sha256=WZGob_3Hc1N0H-UvNvJNXL39Xl4PsnyBOLSb2VqHMx4,1546
530
+ synkit/Rule/Compose/composition.py,sha256=_txyDUQq4t8dBKgK6mIu541MwUU-SMSFAYLrtaPlhuo,35770
531
+ synkit/Rule/Compose/laws.py,sha256=S7rWZsEj1kCGlaGJ5d8R1mMdFNAdjfFMoWyiOiqN6co,15461
532
+ synkit/Rule/Compose/search.py,sha256=l_hUpk7ba31zLneg4emTNubsPJC666mdDZShFPsUyPA,26350
533
+ synkit/Rule/Compose/synrule.py,sha256=S-4RlVQdfkgwcZR7KU7yL0EVOMEYxKZleLOTEDDp_z8,5305
534
+ synkit/Rule/Modify/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
535
+ synkit/Rule/Modify/implict_rule.py,sha256=eSennaRFoTTIMxWlr8cnltHWiVxMcdFjZmlm_AmscyA,2348
536
+ synkit/Rule/Modify/longest_path.py,sha256=iGkujKW10WowMuhmvjGWIfFfI-ItUjiJ39uD2LZakXE,3466
537
+ synkit/Rule/Modify/molecule_rule.py,sha256=feSq1I_S_1WU0Raw2jTcf4LwDDHLIq3LcFCl-rp5Bw0,4258
538
+ synkit/Rule/Modify/prune_templates.py,sha256=jxvwYooCTn4iCqqqwrMKteza80drxH1tJlhgfE6JOp8,2977
539
+ synkit/Rule/Modify/rule_utils.py,sha256=ZpBxtAsBzvORFA77Lbtvd36bCv_HnDJcxHUVUiophr0,6490
540
+ synkit/Rule/Modify/strip_rule.py,sha256=B9cYUSfrY7Q7LvvXB2ihMNCIp2bpBfE-w75opuxi5Sc,3337
541
+ synkit/Synthesis/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
542
+ synkit/Synthesis/reactor_utils.py,sha256=sUie9saVEn4E4E35UhNcPEbtBmu41Il8ET8vWU7U79Q,11873
543
+ synkit/Synthesis/MSR/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
544
+ synkit/Synthesis/MSR/path_finder.py,sha256=KiAFaW1Y-Z-Vsi140RqslQI_G2KYnoeiNQnlOgRPv9k,10279
545
+ synkit/Synthesis/Metrics/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
546
+ synkit/Synthesis/Metrics/_base.py,sha256=tUu54KOGsVu-1a4Sz9Q8-V3AAcgx-yx8OxuwtuYrOXM,1818
547
+ synkit/Synthesis/Metrics/_plot.py,sha256=NRRm1e7ahsX7MoUtg8e7ZZicfGbJCPkelmigqAQMwPo,4533
548
+ synkit/Synthesis/Metrics/_ranking.py,sha256=NuMchnNtkgFZgLHylxVYH3ia8D4ACJFxS1BAfMXac9s,7205
549
+ synkit/Synthesis/RBL/__init__.py,sha256=GhaiG_YM06WO97fNtozCI6idyeaPixIUcglLUCHilCQ,1985
550
+ synkit/Synthesis/RBL/engine.py,sha256=BEToBtRU43bbuDf6bxc_RPz0YDx4RmPq_brqXI870H4,57679
551
+ synkit/Synthesis/RBL/matching.py,sha256=HEegSvGp_99udTsKKvaWrQm0Am4lh3In3ZD4APeT9Pw,23176
552
+ synkit/Synthesis/RBL/overlap.py,sha256=kX84QtGnahBuT6rZjYiCilxo0BuatjlX7QiDOts7XtY,11349
553
+ synkit/Synthesis/RBL/pipeline.py,sha256=U7OwAqUzH3nkitE-zl1K2Eo-u3nH-UvVAUZp5KGwBDA,14988
554
+ synkit/Synthesis/RBL/policy.py,sha256=rcPuw9mWo1FWsoi0zXRWpq0wF7ntZdVcTmOLtCNT8yA,4329
555
+ synkit/Synthesis/RBL/proof.py,sha256=iMSxbcpkcfQ4t9Pc3PhjVJ43395YEPyDnvkz7l4LmkY,14418
556
+ synkit/Synthesis/RBL/reaction.py,sha256=AEkVoRb1jJ0djlGp8vlCA1cSi0-Vqb23UpS4StN9WA0,18830
557
+ synkit/Synthesis/RBL/state.py,sha256=dFkhYHcgCmWFefAdKpyljysaf4l-zb7FxEeuidgJKTs,6242
558
+ synkit/Synthesis/RBL/validation.py,sha256=0inn1PC-0n6-KxjBBBPoRfgrS6ZjkpsKqijIJLSF0Cw,39112
559
+ synkit/Synthesis/Reactor/__init__.py,sha256=ZUpianlrjWaICWMch_7XIPfuZTjSMi8jZ2mdDc2Tp14,2063
560
+ synkit/Synthesis/Reactor/core/__init__.py,sha256=oZT-rNjkKqB-BjDtD3n2be5eS5m85BtoicRzU3ratOs,76
561
+ synkit/Synthesis/Reactor/core/engine.py,sha256=wdJl7ZfVrkgASwWTjsPCZSn74Na01G0DolNwipuB8E4,44227
562
+ synkit/Synthesis/Reactor/core/product.py,sha256=HRFUFcFSd_W8ZY6-ID3-VxEmB9bxYBOfjF73At446fU,25388
563
+ synkit/Synthesis/Reactor/core/rewrite.py,sha256=Aql1uv9NQJ9eST3SWwsVCKO6jwYoqZSm8uHgQadio-o,23757
564
+ synkit/Synthesis/Reactor/core/strategy.py,sha256=Aat46fIATGUrNrC9NU_It-0KsODUNj7cr0bBf0dW0Ck,1388
565
+ synkit/Synthesis/Reactor/matching/__init__.py,sha256=2aVGFJmLap4TnbvT0HYFQHEjRyfLzfThBtsSqmC5V-A,63
566
+ synkit/Synthesis/Reactor/matching/mixin.py,sha256=0QLqnohkV78nERNij4WAO7lHWVYyaMhVzUy1bMuLSfc,39722
567
+ synkit/Synthesis/Reactor/matching/policy.py,sha256=B2Wxfk7OAmG2ERYXme2Edo-NVk2W8xLvaKc13b7Vv8U,12061
568
+ synkit/Synthesis/Reactor/matching/symmetry.py,sha256=pWGLFn_CXz86_jgflu9S0ik04SMxfprfrhylR5fIrOA,10476
569
+ synkit/Synthesis/Reactor/output/__init__.py,sha256=UJHkFEdAriJikh1tq8sIZv3c3Xs-PI5-1XTO1RQWPTo,66
570
+ synkit/Synthesis/Reactor/output/deduplication.py,sha256=FtABTVP1XJo6ABPWiKozlc3Q8QJ_MuUOGaoQhTLOal8,26174
571
+ synkit/Synthesis/Reactor/output/policy.py,sha256=ZywQR5fy-vMHOuoK2CPytR8d3s6HBnItXVZzTYIkWPI,548
572
+ synkit/Synthesis/Reactor/output/serialization.py,sha256=duTu7RbH_Zi5Y3p7P5EtL1nqfLLbEjAi0M2qnj3xEfM,18893
573
+ synkit/Synthesis/Reactor/output/structural.py,sha256=Kn2WgaasFsO4Jzqen8m_UKsb8muiCYHWN-KAOKkT9e8,35090
574
+ synkit/Synthesis/Reactor/stereo/__init__.py,sha256=USFFYOn-a9mtmbIHIasll33kZNcRWkLKMDY2griZBT8,62
575
+ synkit/Synthesis/Reactor/stereo/assignment.py,sha256=3lORLrN5b0SjSUIkvdp-D7hobEY_MgmPX-3FO79WeVI,1164
576
+ synkit/Synthesis/Reactor/stereo/mixin.py,sha256=DXPu4Z_trkVv1sjfem0-XbcwU6tY8ZIV84SAxGBLkz4,32616
577
+ synkit/Synthesis/Reactor/variants/__init__.py,sha256=457CYy0RTPceVwkmegTB56is9Oele0Q6ZYINa-Ew004,62
578
+ synkit/Synthesis/Reactor/variants/imbalanced.py,sha256=CiB6Id7PvYs8sWsWDxFMsBuBccHi3K2ZTmaQMETFVog,6689
579
+ synkit/Synthesis/Reactor/variants/partial.py,sha256=BXxRmzyISkyNyzYshQ6jGnqolc8WHrsgbtsLSBvEaXo,3432
580
+ synkit/Synthesis/Reactor/workflow/__init__.py,sha256=u5WDR4CG2v2hnM9DOZsi1_43vWydXg7lVO7r86ZVIHU,71
581
+ synkit/Synthesis/Reactor/workflow/batch.py,sha256=ltCp3EisromhjonZ_0l8RYh3PvtsEIykmO3edIi_7Ds,20005
582
+ synkit/Synthesis/Reactor/workflow/benchmark.py,sha256=hEuvBI-THMfMpuul2EV4bweiPrxz8hvdUeD_s764Xhs,5540
583
+ synkit/Synthesis/Reactor/workflow/postprocess.py,sha256=9_yCL4mSM15ot6_jNMy5H7EFxXNOiel_JQfFDV61Gb8,9871
584
+ synkit/Synthesis/Reactor/workflow/rule_filter.py,sha256=q4FxdsVNQfehcBSXNiS31-zuFUIPy-Vq5ELL3S7sfxk,7624
585
+ synkit/Utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
586
+ synkit/Utils/utils.py,sha256=Bhge-I7GR1VwqcwmLIZ-B77BXyNLvPbO9aXW_IDL24A,6509
587
+ synkit/Vis/__init__.py,sha256=7encUVq0FO1dW1G8xjyhLx8uCoTafMi1a6Xmvb9Gm0c,2463
588
+ synkit/Vis/graph_visualizer.py,sha256=wvqD03c-zBicg-9d94ZHxucTn7yAhIuQSF8WXIgm3uU,14565
589
+ synkit/Vis/its_drawer.py,sha256=jMtnaDTz-cRjq2L7RWibegWpCGmW1Y9fLGOpe1m8vIw,1054
590
+ synkit/Vis/molecule_drawer.py,sha256=gsg2M_3EZOOnwSAIP75Kvz6OKWTbQO5eTmL5klIqav8,985
591
+ synkit/Vis/mtg_drawer.py,sha256=rVarveNVN6I8l8D4qSvrBsHss5EZDPrYjBX4rTne2Sg,978
592
+ synkit/Vis/pdf_writer.py,sha256=yPLtdLtfbiVY2sd-ubZ4Bk1q890JnR9WmhMdMF8-eHA,5826
593
+ synkit/Vis/reaction_drawer.py,sha256=zysbxAqB-Kwv5yalU-mx-xVKD_kG7DJ2h_RiwtAXnRU,1237
594
+ synkit/Vis/visual_drawer.py,sha256=evqJgs7Di7K2wAUOAq-3D2klSynJiO0A3uo66PasFDI,6524
595
+ synkit/Vis/visual_model.py,sha256=655x1GgJs3WgfsxrFQHIZe61hQaOoVfl-MKfCElnXFU,15643
596
+ synkit/Vis/crn/__init__.py,sha256=MUYBwnR2q4320yRQUuti-9nyyZSbIhLNfS-3fjgAL7c,1069
597
+ synkit/Vis/epd/__init__.py,sha256=YBajuQSTYjUHp4b_zMDJbmyZvVjc2QrjG2KPKt9Rvrw,480
598
+ synkit/Vis/epd/arrows.py,sha256=lXJDCR6nT2rqrmYKnkIxWXwVZZDnojs4HvdbJVbsl2A,11957
599
+ synkit/Vis/epd/chem.py,sha256=8bSrbIncoJuZn46Vg2v-yWgiiJz615Y8cwto-enFsog,6149
600
+ synkit/Vis/epd/constants.py,sha256=QuSR9NUFvlBuTPn8lh9nlevcuv9fbbWacZz7UgIncn8,1918
601
+ synkit/Vis/epd/layout.py,sha256=SakQiW-NvGizx4qITdV1JfG0ls6UTwCd0ceoWYVsdRM,9368
602
+ synkit/Vis/epd/mapping.py,sha256=9mlRkp7ziYfwr5vZJsPIGclvsUrTKmTLjNOvjLiOMlc,1524
603
+ synkit/Vis/epd/models.py,sha256=AfjftYP2Z-lDkCz7zL24LuMZqHbxSe3G1-towUiEOCg,4527
604
+ synkit/Vis/epd/render.py,sha256=bFOvOzqL2yQV8i4CkloQA6EXvlVMpDPr2x0l8njQ8wI,17152
605
+ synkit/Vis/epd/utils.py,sha256=Mix21qqLRY9TiLQZRrYyUWi17ORSc2t2FIdJd4e9Zn4,3208
606
+ synkit/Vis/epd/visualizer.py,sha256=U7FedXI5GB72EkQ1LQfhJCCswJZ0qiANDSd8mY4KFYI,30682
607
+ synkit/Vis/its/__init__.py,sha256=8bdzrxbzGfotmJSJUMmuoVk5OS8IYZb0QT3l5_HBzK4,592
608
+ synkit/Vis/its/drawer.py,sha256=dO7tto8lzjNgHpnbtrxQVzXYlpdkbMcmogQCg1BXWcQ,20867
609
+ synkit/Vis/molecule/__init__.py,sha256=aaG-mK0HTzObYLl4PVTZlM30dtGJ1aqZN5lGX7Wxv_E,824
610
+ synkit/Vis/molecule/drawer.py,sha256=aDSTa0aFs1_pwKbIEiNzhoEGmT3eAg1Uj70dzDrQiE4,17702
611
+ synkit/Vis/molecule/reaction.py,sha256=VO-ovedFrEYbfxmDM4lhmYG9urulyk2BC2TdoZBPnYs,9073
612
+ synkit/Vis/mtg/__init__.py,sha256=ErYXjSt-1clQVzxfQR6uTS5nX-6q1eIUzaTjA6ZiSVk,407
613
+ synkit/Vis/mtg/drawer.py,sha256=bfSNS0lQhVJasFmHSvQMmCMO6Ahfr0syYRUbYHjUKSg,23870
614
+ synkit/Vis/reaction/__init__.py,sha256=45JdEsGECCPXdteLfsiJMr97oi8bA19zzUwgyWuyiXU,523
615
+ synkit/Vis/reaction/rule.py,sha256=YBodCEpNbRpJIyNOca3gqJ-DvPnlB1ssexR7ec6tOZE,5042
616
+ synkit/Vis/reaction/rxn.py,sha256=wDga1lYbXQ2eMciz39xWg_pEd0XOEqEMriEShmCRZCc,20765
617
+ synkit/Vis/space/__init__.py,sha256=e32xuOzY2ciiR1MYNk5dgzUxYl2IgKMSUrvvj72m_TA,478
618
+ synkit/Vis/space/chemical.py,sha256=HtFxA9sMgCt6U14RggDDon6bY-d8EyCbMLjJM03N_XM,2616
619
+ synkit/Vis/space/embedding.py,sha256=KlY4ct_IiFqkzAVHk8KF6V-Mht-uelniSt7FYNhUgvM,2894
620
+ synkit/Vis/vis_synedu/rxn_vis.py,sha256=Y7sd0gaFsisKX17FQNn1eQIUkC4bCsgTfEq5TTzJWhY,14002
621
+ synkit/Vis/vis_synedu/vis.py,sha256=vGJAIwRduy3L33HURuTtfxdI1PYmxYT6SGgyjZRh49A,17547
622
+ synkit/Vis/vis_synedu/Vis/__init__.py,sha256=P5R7LQC4Ok9-tvliNG7auenuYzUB2vAQe_GgYnbRO_E,180
623
+ synkit/Vis/vis_synedu/Vis/dpo.py,sha256=Nj6vXy11MDUU_IYAo3nphoiq59am1pJfBZvd1T9ocX4,27956
624
+ synkit/Data/aldol.json.gz,sha256=5grMUYGwa7mtgRRjZIvCXGNb6idioZeTfqTQR1u3OjI,7108
625
+ synkit/Data/paracetamol.json.gz,sha256=LgHLFarSq6CneihvvtHwzAWi6wiSQiOCCYJYuO37QE4,1935
626
+ synkit/Chem/Mapper/solvers/exact/native/native_distance.cpp,sha256=ao2OeuapYs4dUhoRr5vzSBNaU2AKtNHRTFOlf1zuzm0,106139
627
+ synkit/CRN/lib/synkit_crn.dll,sha256=GM-4X_BCdky3x-1chwBO1ovDIQhxl2vw5LeGIH9YaD0,1113600
628
+ synkit/CRN/lib/synkit_crn.json,sha256=w7xBmahdHIPa8TKlofrMBaKoNCLorXqEh7y_11bDFLc,1519
629
+ synkit/Graph/Canon/_native/lib/synkit_canon.dll,sha256=paGwK0CKF2UJGN7TACCBS9vo-IeV52kjMkw8mLqpcvs,182784
630
+ synkit/Chem/Mapper/solvers/native/lib/synkit_mapper.dll,sha256=zT0cYXaJo3j5AzLXOMJ7rq6URtcOvZKr5TEy9v8AQPM,2096640
631
+ synkit-1.6.5.dist-info/METADATA,sha256=wMc8ppAYhyeGDhVYX_DVDpBYdqdHA3Rsxkc5wr3UQeA,5965
632
+ synkit-1.6.5.dist-info/WHEEL,sha256=lpoBGaIUIidvvdZ4qRAP61bBKYJdt4FI3WXFL50Gzyo,94
633
+ synkit-1.6.5.dist-info/licenses/LICENSE,sha256=ns1dmZusCJQ-ZpAWW_k5DfcMZL_6JTw1dH98WU9KAfI,1092
634
+ synkit-1.6.5.dist-info/licenses/synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/COPYRIGHT,sha256=oU_i-3bmiUqOslOGSLZrUEQfLJdnqXmOn7NU4Pi0mA8,2278
635
+ synkit-1.6.5.dist-info/licenses/synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/LICENSE-2.0.txt,sha256=Pd-b5cKP4n2tFDpdx27qJSIq0d1ok0oEcGTlbtL6QMU,11560
636
+ synkit-1.6.5.dist-info/RECORD,,