rdkit_chem 2025.09.3.1-x86_64-linux

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 (297) hide show
  1. checksums.yaml +7 -0
  2. data/CMakeLists.txt +713 -0
  3. data/Code/CMakeLists.txt +44 -0
  4. data/Code/RubyWrappers/Abbreviations.i +19 -0
  5. data/Code/RubyWrappers/AddHs.i +34 -0
  6. data/Code/RubyWrappers/Atom.i +165 -0
  7. data/Code/RubyWrappers/AtomIterators.i +77 -0
  8. data/Code/RubyWrappers/AtomPairs.i +95 -0
  9. data/Code/RubyWrappers/AvalonLib.i +41 -0
  10. data/Code/RubyWrappers/BitOps.i +72 -0
  11. data/Code/RubyWrappers/Bond.i +87 -0
  12. data/Code/RubyWrappers/BondIterators.i +61 -0
  13. data/Code/RubyWrappers/CMakeLists.txt +67 -0
  14. data/Code/RubyWrappers/Canon.i +40 -0
  15. data/Code/RubyWrappers/ChemDraw.i +81 -0
  16. data/Code/RubyWrappers/ChemReactions.i +166 -0
  17. data/Code/RubyWrappers/ChemTransforms.i +126 -0
  18. data/Code/RubyWrappers/Conformer.i +69 -0
  19. data/Code/RubyWrappers/Descriptors.i +64 -0
  20. data/Code/RubyWrappers/Dict.i +45 -0
  21. data/Code/RubyWrappers/DistGeom.i +217 -0
  22. data/Code/RubyWrappers/DiversityPick.h +49 -0
  23. data/Code/RubyWrappers/DiversityPick.i +10 -0
  24. data/Code/RubyWrappers/ErrorGenerator.i +73 -0
  25. data/Code/RubyWrappers/ExplicitBitVect.i +76 -0
  26. data/Code/RubyWrappers/FMCS.i +63 -0
  27. data/Code/RubyWrappers/FilterCatalog.i +154 -0
  28. data/Code/RubyWrappers/Fingerprints.i +56 -0
  29. data/Code/RubyWrappers/ForceField.i +161 -0
  30. data/Code/RubyWrappers/GeneralizedSubstruct.i +38 -0
  31. data/Code/RubyWrappers/GenericRDKitException.h +27 -0
  32. data/Code/RubyWrappers/Inchi.i +38 -0
  33. data/Code/RubyWrappers/MolBundle.i +16 -0
  34. data/Code/RubyWrappers/MolDraw2D.i +117 -0
  35. data/Code/RubyWrappers/MolEnumerator.i +45 -0
  36. data/Code/RubyWrappers/MolHash.i +25 -0
  37. data/Code/RubyWrappers/MolOps.i +72 -0
  38. data/Code/RubyWrappers/MolStandardize.i +37 -0
  39. data/Code/RubyWrappers/MolSupplier.i +83 -0
  40. data/Code/RubyWrappers/MolTransforms.i +39 -0
  41. data/Code/RubyWrappers/MolWriters.i +41 -0
  42. data/Code/RubyWrappers/MonomerInfo.i +42 -0
  43. data/Code/RubyWrappers/MorganFingerprints.h +21 -0
  44. data/Code/RubyWrappers/MorganFingerprints.i +66 -0
  45. data/Code/RubyWrappers/PeriodicTable.i +44 -0
  46. data/Code/RubyWrappers/Queries.i +289 -0
  47. data/Code/RubyWrappers/QueryAtom.i +47 -0
  48. data/Code/RubyWrappers/QueryBond.i +47 -0
  49. data/Code/RubyWrappers/QueryOps.i +44 -0
  50. data/Code/RubyWrappers/RDKitExceptions.i +75 -0
  51. data/Code/RubyWrappers/RDLogger.i +74 -0
  52. data/Code/RubyWrappers/RDProps.i +44 -0
  53. data/Code/RubyWrappers/RGroupDecomposition.i +52 -0
  54. data/Code/RubyWrappers/ROMol.i +695 -0
  55. data/Code/RubyWrappers/RWMol.i +241 -0
  56. data/Code/RubyWrappers/RascalMCES.i +71 -0
  57. data/Code/RubyWrappers/ReactionFingerprints.i +37 -0
  58. data/Code/RubyWrappers/RingInfo.i +40 -0
  59. data/Code/RubyWrappers/Rings.i +40 -0
  60. data/Code/RubyWrappers/SanitException.i +100 -0
  61. data/Code/RubyWrappers/ScaffoldNetwork.i +28 -0
  62. data/Code/RubyWrappers/SmartsWrite.i +38 -0
  63. data/Code/RubyWrappers/SmilesParse.i +40 -0
  64. data/Code/RubyWrappers/SmilesWrite.i +42 -0
  65. data/Code/RubyWrappers/StereoGroup.i +16 -0
  66. data/Code/RubyWrappers/Streams.i +67 -0
  67. data/Code/RubyWrappers/Subgraphs.i +53 -0
  68. data/Code/RubyWrappers/Subset.i +75 -0
  69. data/Code/RubyWrappers/SubstanceGroup.i +91 -0
  70. data/Code/RubyWrappers/SubstructLibrary.i +80 -0
  71. data/Code/RubyWrappers/TautomerQuery.i +19 -0
  72. data/Code/RubyWrappers/Trajectory.i +34 -0
  73. data/Code/RubyWrappers/boost_tuple.i +64 -0
  74. data/Code/RubyWrappers/extend_std_vector.i +10 -0
  75. data/Code/RubyWrappers/gmwrapper/CMakeLists.txt +69 -0
  76. data/Code/RubyWrappers/gmwrapper/GraphMolRuby.i +431 -0
  77. data/Code/RubyWrappers/gmwrapper/std_list.i +65 -0
  78. data/Code/RubyWrappers/point.i +56 -0
  79. data/Code/RubyWrappers/transforms.i +60 -0
  80. data/Code/RubyWrappers/types.i +40 -0
  81. data/README.md +24 -0
  82. data/Rakefile +130 -0
  83. data/ext/rdkit_chem/CMakeLists.txt +69 -0
  84. data/ext/rdkit_chem/Makefile +5 -0
  85. data/ext/rdkit_chem/extconf.rb +84 -0
  86. data/lib/rdkit_chem/3.3.0/RDKitChem.so +0 -0
  87. data/lib/rdkit_chem/3.3.0/libRDKitAbbreviations.so +1 -0
  88. data/lib/rdkit_chem/3.3.0/libRDKitAbbreviations.so.1 +1 -0
  89. data/lib/rdkit_chem/3.3.0/libRDKitAbbreviations.so.1.2026.03.1pre +0 -0
  90. data/lib/rdkit_chem/3.3.0/libRDKitAlignment.so +1 -0
  91. data/lib/rdkit_chem/3.3.0/libRDKitAlignment.so.1 +1 -0
  92. data/lib/rdkit_chem/3.3.0/libRDKitAlignment.so.1.2026.03.1pre +0 -0
  93. data/lib/rdkit_chem/3.3.0/libRDKitCIPLabeler.so +1 -0
  94. data/lib/rdkit_chem/3.3.0/libRDKitCIPLabeler.so.1 +1 -0
  95. data/lib/rdkit_chem/3.3.0/libRDKitCIPLabeler.so.1.2026.03.1pre +0 -0
  96. data/lib/rdkit_chem/3.3.0/libRDKitCatalogs.so +1 -0
  97. data/lib/rdkit_chem/3.3.0/libRDKitCatalogs.so.1 +1 -0
  98. data/lib/rdkit_chem/3.3.0/libRDKitCatalogs.so.1.2026.03.1pre +0 -0
  99. data/lib/rdkit_chem/3.3.0/libRDKitChemDraw.so +1 -0
  100. data/lib/rdkit_chem/3.3.0/libRDKitChemDraw.so.1 +1 -0
  101. data/lib/rdkit_chem/3.3.0/libRDKitChemDraw.so.1.2026.03.1pre +0 -0
  102. data/lib/rdkit_chem/3.3.0/libRDKitChemReactions.so +1 -0
  103. data/lib/rdkit_chem/3.3.0/libRDKitChemReactions.so.1 +1 -0
  104. data/lib/rdkit_chem/3.3.0/libRDKitChemReactions.so.1.2026.03.1pre +0 -0
  105. data/lib/rdkit_chem/3.3.0/libRDKitChemTransforms.so +1 -0
  106. data/lib/rdkit_chem/3.3.0/libRDKitChemTransforms.so.1 +1 -0
  107. data/lib/rdkit_chem/3.3.0/libRDKitChemTransforms.so.1.2026.03.1pre +0 -0
  108. data/lib/rdkit_chem/3.3.0/libRDKitChemicalFeatures.so +1 -0
  109. data/lib/rdkit_chem/3.3.0/libRDKitChemicalFeatures.so.1 +1 -0
  110. data/lib/rdkit_chem/3.3.0/libRDKitChemicalFeatures.so.1.2026.03.1pre +0 -0
  111. data/lib/rdkit_chem/3.3.0/libRDKitDataStructs.so +1 -0
  112. data/lib/rdkit_chem/3.3.0/libRDKitDataStructs.so.1 +1 -0
  113. data/lib/rdkit_chem/3.3.0/libRDKitDataStructs.so.1.2026.03.1pre +0 -0
  114. data/lib/rdkit_chem/3.3.0/libRDKitDepictor.so +1 -0
  115. data/lib/rdkit_chem/3.3.0/libRDKitDepictor.so.1 +1 -0
  116. data/lib/rdkit_chem/3.3.0/libRDKitDepictor.so.1.2026.03.1pre +0 -0
  117. data/lib/rdkit_chem/3.3.0/libRDKitDeprotect.so +1 -0
  118. data/lib/rdkit_chem/3.3.0/libRDKitDeprotect.so.1 +1 -0
  119. data/lib/rdkit_chem/3.3.0/libRDKitDeprotect.so.1.2026.03.1pre +0 -0
  120. data/lib/rdkit_chem/3.3.0/libRDKitDescriptors.so +1 -0
  121. data/lib/rdkit_chem/3.3.0/libRDKitDescriptors.so.1 +1 -0
  122. data/lib/rdkit_chem/3.3.0/libRDKitDescriptors.so.1.2026.03.1pre +0 -0
  123. data/lib/rdkit_chem/3.3.0/libRDKitDistGeomHelpers.so +1 -0
  124. data/lib/rdkit_chem/3.3.0/libRDKitDistGeomHelpers.so.1 +1 -0
  125. data/lib/rdkit_chem/3.3.0/libRDKitDistGeomHelpers.so.1.2026.03.1pre +0 -0
  126. data/lib/rdkit_chem/3.3.0/libRDKitDistGeometry.so +1 -0
  127. data/lib/rdkit_chem/3.3.0/libRDKitDistGeometry.so.1 +1 -0
  128. data/lib/rdkit_chem/3.3.0/libRDKitDistGeometry.so.1.2026.03.1pre +0 -0
  129. data/lib/rdkit_chem/3.3.0/libRDKitEigenSolvers.so +1 -0
  130. data/lib/rdkit_chem/3.3.0/libRDKitEigenSolvers.so.1 +1 -0
  131. data/lib/rdkit_chem/3.3.0/libRDKitEigenSolvers.so.1.2026.03.1pre +0 -0
  132. data/lib/rdkit_chem/3.3.0/libRDKitEnumerateStereoisomers.so +1 -0
  133. data/lib/rdkit_chem/3.3.0/libRDKitEnumerateStereoisomers.so.1 +1 -0
  134. data/lib/rdkit_chem/3.3.0/libRDKitEnumerateStereoisomers.so.1.2026.03.1pre +0 -0
  135. data/lib/rdkit_chem/3.3.0/libRDKitFMCS.so +1 -0
  136. data/lib/rdkit_chem/3.3.0/libRDKitFMCS.so.1 +1 -0
  137. data/lib/rdkit_chem/3.3.0/libRDKitFMCS.so.1.2026.03.1pre +0 -0
  138. data/lib/rdkit_chem/3.3.0/libRDKitFileParsers.so +1 -0
  139. data/lib/rdkit_chem/3.3.0/libRDKitFileParsers.so.1 +1 -0
  140. data/lib/rdkit_chem/3.3.0/libRDKitFileParsers.so.1.2026.03.1pre +0 -0
  141. data/lib/rdkit_chem/3.3.0/libRDKitFilterCatalog.so +1 -0
  142. data/lib/rdkit_chem/3.3.0/libRDKitFilterCatalog.so.1 +1 -0
  143. data/lib/rdkit_chem/3.3.0/libRDKitFilterCatalog.so.1.2026.03.1pre +0 -0
  144. data/lib/rdkit_chem/3.3.0/libRDKitFingerprints.so +1 -0
  145. data/lib/rdkit_chem/3.3.0/libRDKitFingerprints.so.1 +1 -0
  146. data/lib/rdkit_chem/3.3.0/libRDKitFingerprints.so.1.2026.03.1pre +0 -0
  147. data/lib/rdkit_chem/3.3.0/libRDKitForceField.so +1 -0
  148. data/lib/rdkit_chem/3.3.0/libRDKitForceField.so.1 +1 -0
  149. data/lib/rdkit_chem/3.3.0/libRDKitForceField.so.1.2026.03.1pre +0 -0
  150. data/lib/rdkit_chem/3.3.0/libRDKitForceFieldHelpers.so +1 -0
  151. data/lib/rdkit_chem/3.3.0/libRDKitForceFieldHelpers.so.1 +1 -0
  152. data/lib/rdkit_chem/3.3.0/libRDKitForceFieldHelpers.so.1.2026.03.1pre +0 -0
  153. data/lib/rdkit_chem/3.3.0/libRDKitFragCatalog.so +1 -0
  154. data/lib/rdkit_chem/3.3.0/libRDKitFragCatalog.so.1 +1 -0
  155. data/lib/rdkit_chem/3.3.0/libRDKitFragCatalog.so.1.2026.03.1pre +0 -0
  156. data/lib/rdkit_chem/3.3.0/libRDKitGeneralizedSubstruct.so +1 -0
  157. data/lib/rdkit_chem/3.3.0/libRDKitGeneralizedSubstruct.so.1 +1 -0
  158. data/lib/rdkit_chem/3.3.0/libRDKitGeneralizedSubstruct.so.1.2026.03.1pre +0 -0
  159. data/lib/rdkit_chem/3.3.0/libRDKitGenericGroups.so +1 -0
  160. data/lib/rdkit_chem/3.3.0/libRDKitGenericGroups.so.1 +1 -0
  161. data/lib/rdkit_chem/3.3.0/libRDKitGenericGroups.so.1.2026.03.1pre +0 -0
  162. data/lib/rdkit_chem/3.3.0/libRDKitGraphMol.so +1 -0
  163. data/lib/rdkit_chem/3.3.0/libRDKitGraphMol.so.1 +1 -0
  164. data/lib/rdkit_chem/3.3.0/libRDKitGraphMol.so.1.2026.03.1pre +0 -0
  165. data/lib/rdkit_chem/3.3.0/libRDKitInfoTheory.so +1 -0
  166. data/lib/rdkit_chem/3.3.0/libRDKitInfoTheory.so.1 +1 -0
  167. data/lib/rdkit_chem/3.3.0/libRDKitInfoTheory.so.1.2026.03.1pre +0 -0
  168. data/lib/rdkit_chem/3.3.0/libRDKitMMPA.so +1 -0
  169. data/lib/rdkit_chem/3.3.0/libRDKitMMPA.so.1 +1 -0
  170. data/lib/rdkit_chem/3.3.0/libRDKitMMPA.so.1.2026.03.1pre +0 -0
  171. data/lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so +1 -0
  172. data/lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so.1 +1 -0
  173. data/lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so.1.2026.03.1pre +0 -0
  174. data/lib/rdkit_chem/3.3.0/libRDKitMolAlign.so +1 -0
  175. data/lib/rdkit_chem/3.3.0/libRDKitMolAlign.so.1 +1 -0
  176. data/lib/rdkit_chem/3.3.0/libRDKitMolAlign.so.1.2026.03.1pre +0 -0
  177. data/lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so +1 -0
  178. data/lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so.1 +1 -0
  179. data/lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so.1.2026.03.1pre +0 -0
  180. data/lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so +1 -0
  181. data/lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so.1 +1 -0
  182. data/lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so.1.2026.03.1pre +0 -0
  183. data/lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so +1 -0
  184. data/lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so.1 +1 -0
  185. data/lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so.1.2026.03.1pre +0 -0
  186. data/lib/rdkit_chem/3.3.0/libRDKitMolEnumerator.so +1 -0
  187. data/lib/rdkit_chem/3.3.0/libRDKitMolEnumerator.so.1 +1 -0
  188. data/lib/rdkit_chem/3.3.0/libRDKitMolEnumerator.so.1.2026.03.1pre +0 -0
  189. data/lib/rdkit_chem/3.3.0/libRDKitMolHash.so +1 -0
  190. data/lib/rdkit_chem/3.3.0/libRDKitMolHash.so.1 +1 -0
  191. data/lib/rdkit_chem/3.3.0/libRDKitMolHash.so.1.2026.03.1pre +0 -0
  192. data/lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so +1 -0
  193. data/lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so.1 +1 -0
  194. data/lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so.1.2026.03.1pre +0 -0
  195. data/lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so +1 -0
  196. data/lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so.1 +1 -0
  197. data/lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so.1.2026.03.1pre +0 -0
  198. data/lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so +1 -0
  199. data/lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so.1 +1 -0
  200. data/lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so.1.2026.03.1pre +0 -0
  201. data/lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so +1 -0
  202. data/lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so.1 +1 -0
  203. data/lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so.1.2026.03.1pre +0 -0
  204. data/lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so +1 -0
  205. data/lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so.1 +1 -0
  206. data/lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so.1.2026.03.1pre +0 -0
  207. data/lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so +1 -0
  208. data/lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so.1 +1 -0
  209. data/lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so.1.2026.03.1pre +0 -0
  210. data/lib/rdkit_chem/3.3.0/libRDKitOptimizer.so +1 -0
  211. data/lib/rdkit_chem/3.3.0/libRDKitOptimizer.so.1 +1 -0
  212. data/lib/rdkit_chem/3.3.0/libRDKitOptimizer.so.1.2026.03.1pre +0 -0
  213. data/lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so +1 -0
  214. data/lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so.1 +1 -0
  215. data/lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so.1.2026.03.1pre +0 -0
  216. data/lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so +1 -0
  217. data/lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so.1 +1 -0
  218. data/lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so.1.2026.03.1pre +0 -0
  219. data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so +1 -0
  220. data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so.1 +1 -0
  221. data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so.1.2026.03.1pre +0 -0
  222. data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so +1 -0
  223. data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so.1 +1 -0
  224. data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so.1.2026.03.1pre +0 -0
  225. data/lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so +1 -0
  226. data/lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so.1 +1 -0
  227. data/lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so.1.2026.03.1pre +0 -0
  228. data/lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so +1 -0
  229. data/lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so.1 +1 -0
  230. data/lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so.1.2026.03.1pre +0 -0
  231. data/lib/rdkit_chem/3.3.0/libRDKitRDStreams.so +1 -0
  232. data/lib/rdkit_chem/3.3.0/libRDKitRDStreams.so.1 +1 -0
  233. data/lib/rdkit_chem/3.3.0/libRDKitRDStreams.so.1.2026.03.1pre +0 -0
  234. data/lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so +1 -0
  235. data/lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so.1 +1 -0
  236. data/lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so.1.2026.03.1pre +0 -0
  237. data/lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so +1 -0
  238. data/lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so.1 +1 -0
  239. data/lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so.1.2026.03.1pre +0 -0
  240. data/lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so +1 -0
  241. data/lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so.1 +1 -0
  242. data/lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so.1.2026.03.1pre +0 -0
  243. data/lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so +1 -0
  244. data/lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so.1 +1 -0
  245. data/lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so.1.2026.03.1pre +0 -0
  246. data/lib/rdkit_chem/3.3.0/libRDKitSLNParse.so +1 -0
  247. data/lib/rdkit_chem/3.3.0/libRDKitSLNParse.so.1 +1 -0
  248. data/lib/rdkit_chem/3.3.0/libRDKitSLNParse.so.1.2026.03.1pre +0 -0
  249. data/lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so +1 -0
  250. data/lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so.1 +1 -0
  251. data/lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so.1.2026.03.1pre +0 -0
  252. data/lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so +1 -0
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