k3-node 1.0.0__py3-none-any.whl

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Files changed (459) hide show
  1. k3_node/__init__.py +122 -0
  2. k3_node/applications/__init__.py +17 -0
  3. k3_node/applications/bio/__init__.py +21 -0
  4. k3_node/applications/chemistry/__init__.py +155 -0
  5. k3_node/applications/materials/__init__.py +127 -0
  6. k3_node/applications/materials/basis.py +449 -0
  7. k3_node/applications/materials/chgnet.py +360 -0
  8. k3_node/applications/materials/core.py +351 -0
  9. k3_node/applications/materials/grace.py +246 -0
  10. k3_node/applications/materials/io.py +230 -0
  11. k3_node/applications/materials/m3gnet.py +462 -0
  12. k3_node/applications/materials/megnet.py +395 -0
  13. k3_node/applications/materials/qet.py +220 -0
  14. k3_node/applications/materials/readout.py +235 -0
  15. k3_node/applications/materials/so3net.py +234 -0
  16. k3_node/applications/materials/tensornet.py +381 -0
  17. k3_node/applications/materials/test_materials.py +167 -0
  18. k3_node/applications/materials/wrappers.py +95 -0
  19. k3_node/data/__init__.py +47 -0
  20. k3_node/data/batch.py +102 -0
  21. k3_node/data/collate.py +282 -0
  22. k3_node/data/data.py +532 -0
  23. k3_node/data/database.py +154 -0
  24. k3_node/data/dataset.py +182 -0
  25. k3_node/data/download.py +49 -0
  26. k3_node/data/extract.py +45 -0
  27. k3_node/data/feature_store.py +70 -0
  28. k3_node/data/graph_store.py +92 -0
  29. k3_node/data/hetero_data.py +374 -0
  30. k3_node/data/hypergraph_data.py +59 -0
  31. k3_node/data/in_memory_dataset.py +177 -0
  32. k3_node/data/makedirs.py +7 -0
  33. k3_node/data/on_disk_dataset.py +77 -0
  34. k3_node/data/separate.py +115 -0
  35. k3_node/data/storage.py +593 -0
  36. k3_node/data/temporal.py +154 -0
  37. k3_node/data/test_batch.py +67 -0
  38. k3_node/data/test_data.py +68 -0
  39. k3_node/data/test_dataset_and_stores.py +111 -0
  40. k3_node/data/test_hetero_data.py +33 -0
  41. k3_node/data/test_temporal_and_hyper.py +32 -0
  42. k3_node/data/view.py +43 -0
  43. k3_node/datasets/__init__.py +88 -0
  44. k3_node/datasets/actor.py +101 -0
  45. k3_node/datasets/airports.py +84 -0
  46. k3_node/datasets/amazon.py +66 -0
  47. k3_node/datasets/ba2motif_dataset.py +73 -0
  48. k3_node/datasets/ba_shapes.py +81 -0
  49. k3_node/datasets/bitcoin_otc.py +77 -0
  50. k3_node/datasets/citation_full.py +81 -0
  51. k3_node/datasets/coauthor.py +66 -0
  52. k3_node/datasets/dblp.py +106 -0
  53. k3_node/datasets/digits.py +63 -0
  54. k3_node/datasets/email_eu_core.py +60 -0
  55. k3_node/datasets/entities.py +158 -0
  56. k3_node/datasets/explainer_dataset.py +101 -0
  57. k3_node/datasets/facebook.py +51 -0
  58. k3_node/datasets/fake.py +256 -0
  59. k3_node/datasets/freebase.py +90 -0
  60. k3_node/datasets/geometric_shapes.py +69 -0
  61. k3_node/datasets/github.py +51 -0
  62. k3_node/datasets/graph_generator/__init__.py +6 -0
  63. k3_node/datasets/graph_generator/ba_graph.py +20 -0
  64. k3_node/datasets/graph_generator/base.py +29 -0
  65. k3_node/datasets/graph_generator/er_graph.py +21 -0
  66. k3_node/datasets/icews.py +58 -0
  67. k3_node/datasets/imdb.py +96 -0
  68. k3_node/datasets/jodie.py +56 -0
  69. k3_node/datasets/karate.py +56 -0
  70. k3_node/datasets/lastfm_asia.py +51 -0
  71. k3_node/datasets/mesh_correspondence.py +50 -0
  72. k3_node/datasets/molecule_net.py +148 -0
  73. k3_node/datasets/motif_generator/__init__.py +7 -0
  74. k3_node/datasets/motif_generator/base.py +29 -0
  75. k3_node/datasets/motif_generator/custom.py +17 -0
  76. k3_node/datasets/motif_generator/cycle.py +25 -0
  77. k3_node/datasets/motif_generator/house.py +27 -0
  78. k3_node/datasets/movielens.py +55 -0
  79. k3_node/datasets/planetoid.py +137 -0
  80. k3_node/datasets/polblogs.py +63 -0
  81. k3_node/datasets/ppi.py +189 -0
  82. k3_node/datasets/qm7.py +65 -0
  83. k3_node/datasets/qm9.py +132 -0
  84. k3_node/datasets/reddit.py +121 -0
  85. k3_node/datasets/sbm_dataset.py +165 -0
  86. k3_node/datasets/seal.py +74 -0
  87. k3_node/datasets/shape_scenes.py +92 -0
  88. k3_node/datasets/test_datasets.py +322 -0
  89. k3_node/datasets/tu_dataset.py +131 -0
  90. k3_node/datasets/twitch.py +66 -0
  91. k3_node/datasets/webkb.py +102 -0
  92. k3_node/datasets/wikics.py +85 -0
  93. k3_node/datasets/word_net.py +184 -0
  94. k3_node/etl/__init__.py +37 -0
  95. k3_node/etl/encoders.py +248 -0
  96. k3_node/etl/graph_builders.py +270 -0
  97. k3_node/etl/relational_to_graph.py +201 -0
  98. k3_node/etl/table_to_graph.py +244 -0
  99. k3_node/etl/test_etl.py +318 -0
  100. k3_node/export/__init__.py +15 -0
  101. k3_node/export/cross_backend.py +172 -0
  102. k3_node/export/onnx_exporter.py +190 -0
  103. k3_node/export/runtime.py +254 -0
  104. k3_node/export/tensorrt_exporter.py +201 -0
  105. k3_node/export/test_export.py +337 -0
  106. k3_node/export/tflite_exporter.py +112 -0
  107. k3_node/hub/__init__.py +29 -0
  108. k3_node/hub/dataset_hub.py +242 -0
  109. k3_node/hub/hub_mixin.py +599 -0
  110. k3_node/hub/model_card.py +133 -0
  111. k3_node/hub/test_hub.py +419 -0
  112. k3_node/io/__init__.py +22 -0
  113. k3_node/io/fs.py +117 -0
  114. k3_node/io/npz.py +45 -0
  115. k3_node/io/off.py +29 -0
  116. k3_node/io/planetoid.py +98 -0
  117. k3_node/io/tu.py +137 -0
  118. k3_node/io/txt_array.py +58 -0
  119. k3_node/layers/__init__.py +14 -0
  120. k3_node/layers/aggr/__init__.py +70 -0
  121. k3_node/layers/aggr/attention.py +77 -0
  122. k3_node/layers/aggr/base.py +403 -0
  123. k3_node/layers/aggr/basic.py +412 -0
  124. k3_node/layers/aggr/deep_sets.py +65 -0
  125. k3_node/layers/aggr/deepsets.py +29 -0
  126. k3_node/layers/aggr/equilibrium.py +107 -0
  127. k3_node/layers/aggr/fused.py +43 -0
  128. k3_node/layers/aggr/gmt.py +89 -0
  129. k3_node/layers/aggr/gru.py +58 -0
  130. k3_node/layers/aggr/lcm.py +143 -0
  131. k3_node/layers/aggr/lstm.py +58 -0
  132. k3_node/layers/aggr/mlp.py +75 -0
  133. k3_node/layers/aggr/multi.py +154 -0
  134. k3_node/layers/aggr/patch_transformer.py +137 -0
  135. k3_node/layers/aggr/quantile.py +125 -0
  136. k3_node/layers/aggr/resolver.py +68 -0
  137. k3_node/layers/aggr/scaler.py +133 -0
  138. k3_node/layers/aggr/set2set.py +87 -0
  139. k3_node/layers/aggr/set_transformer.py +107 -0
  140. k3_node/layers/aggr/sort.py +68 -0
  141. k3_node/layers/aggr/test_aggr.py +337 -0
  142. k3_node/layers/aggr/utils.py +210 -0
  143. k3_node/layers/aggr/variance_preserving.py +54 -0
  144. k3_node/layers/attention/__init__.py +5 -0
  145. k3_node/layers/attention/pair_attention.py +448 -0
  146. k3_node/layers/attention/performer.py +187 -0
  147. k3_node/layers/attention/polynormer.py +160 -0
  148. k3_node/layers/attention/qformer.py +143 -0
  149. k3_node/layers/attention/sgformer.py +106 -0
  150. k3_node/layers/attention/test_attention.py +68 -0
  151. k3_node/layers/attention/test_pair_attention.py +91 -0
  152. k3_node/layers/conv/__init__.py +149 -0
  153. k3_node/layers/conv/agnn_conv.py +120 -0
  154. k3_node/layers/conv/antisymmetric_conv.py +94 -0
  155. k3_node/layers/conv/appnp.py +105 -0
  156. k3_node/layers/conv/appnp_conv.py +157 -0
  157. k3_node/layers/conv/arma_conv.py +231 -0
  158. k3_node/layers/conv/cg_conv.py +92 -0
  159. k3_node/layers/conv/cheb_conv.py +137 -0
  160. k3_node/layers/conv/cluster_gcn_conv.py +102 -0
  161. k3_node/layers/conv/conv.py +100 -0
  162. k3_node/layers/conv/crystal_conv.py +140 -0
  163. k3_node/layers/conv/cugraph.py +84 -0
  164. k3_node/layers/conv/diffusion_conv.py +144 -0
  165. k3_node/layers/conv/dir_gnn_conv.py +93 -0
  166. k3_node/layers/conv/dna_conv.py +192 -0
  167. k3_node/layers/conv/edge_conv.py +107 -0
  168. k3_node/layers/conv/eg_conv.py +155 -0
  169. k3_node/layers/conv/fa_conv.py +107 -0
  170. k3_node/layers/conv/feast_conv.py +126 -0
  171. k3_node/layers/conv/film_conv.py +143 -0
  172. k3_node/layers/conv/gat_conv.py +244 -0
  173. k3_node/layers/conv/gated_graph_conv.py +136 -0
  174. k3_node/layers/conv/gatv2_conv.py +205 -0
  175. k3_node/layers/conv/gcn.py +144 -0
  176. k3_node/layers/conv/gcn2_conv.py +126 -0
  177. k3_node/layers/conv/gcn_conv.py +135 -0
  178. k3_node/layers/conv/gen_conv.py +163 -0
  179. k3_node/layers/conv/general_conv.py +218 -0
  180. k3_node/layers/conv/gin_conv.py +218 -0
  181. k3_node/layers/conv/gmm_conv.py +172 -0
  182. k3_node/layers/conv/gps_conv.py +153 -0
  183. k3_node/layers/conv/graph_attention.py +262 -0
  184. k3_node/layers/conv/graph_conv.py +84 -0
  185. k3_node/layers/conv/gravnet_conv.py +93 -0
  186. k3_node/layers/conv/han_conv.py +175 -0
  187. k3_node/layers/conv/heat_conv.py +131 -0
  188. k3_node/layers/conv/hetero_conv.py +128 -0
  189. k3_node/layers/conv/hgt_conv.py +218 -0
  190. k3_node/layers/conv/hypergraph_conv.py +182 -0
  191. k3_node/layers/conv/le_conv.py +81 -0
  192. k3_node/layers/conv/lg_conv.py +58 -0
  193. k3_node/layers/conv/meshcnn_conv.py +84 -0
  194. k3_node/layers/conv/message_passing.py +451 -0
  195. k3_node/layers/conv/mf_conv.py +95 -0
  196. k3_node/layers/conv/mixhop_conv.py +108 -0
  197. k3_node/layers/conv/nn_conv.py +110 -0
  198. k3_node/layers/conv/pan_conv.py +100 -0
  199. k3_node/layers/conv/pdn_conv.py +109 -0
  200. k3_node/layers/conv/pna_conv.py +177 -0
  201. k3_node/layers/conv/point_conv.py +101 -0
  202. k3_node/layers/conv/point_gnn_conv.py +90 -0
  203. k3_node/layers/conv/point_transformer_conv.py +132 -0
  204. k3_node/layers/conv/ppf_conv.py +135 -0
  205. k3_node/layers/conv/ppnp.py +89 -0
  206. k3_node/layers/conv/res_gated_graph_conv.py +126 -0
  207. k3_node/layers/conv/rgat_conv.py +251 -0
  208. k3_node/layers/conv/rgcn_conv.py +321 -0
  209. k3_node/layers/conv/sage_conv.py +154 -0
  210. k3_node/layers/conv/sg_conv.py +96 -0
  211. k3_node/layers/conv/signed_conv.py +100 -0
  212. k3_node/layers/conv/simple_conv.py +75 -0
  213. k3_node/layers/conv/spline_conv.py +182 -0
  214. k3_node/layers/conv/ssg_conv.py +101 -0
  215. k3_node/layers/conv/supergat_conv.py +195 -0
  216. k3_node/layers/conv/tag_conv.py +98 -0
  217. k3_node/layers/conv/test_backend_consistency.py +164 -0
  218. k3_node/layers/conv/test_conv.py +176 -0
  219. k3_node/layers/conv/test_conv_pyg.py +566 -0
  220. k3_node/layers/conv/transformer_conv.py +168 -0
  221. k3_node/layers/conv/utils.py +403 -0
  222. k3_node/layers/conv/wl_conv.py +151 -0
  223. k3_node/layers/conv/x_conv.py +187 -0
  224. k3_node/layers/dense/__init__.py +40 -0
  225. k3_node/layers/dense/dense_gat_conv.py +149 -0
  226. k3_node/layers/dense/dense_gcn_conv.py +117 -0
  227. k3_node/layers/dense/dense_gin_conv.py +88 -0
  228. k3_node/layers/dense/dense_graph_conv.py +95 -0
  229. k3_node/layers/dense/dense_sage_conv.py +85 -0
  230. k3_node/layers/dense/diff_pool.py +76 -0
  231. k3_node/layers/dense/dmon_pool.py +223 -0
  232. k3_node/layers/dense/linear.py +327 -0
  233. k3_node/layers/dense/mincut_pool.py +92 -0
  234. k3_node/layers/dense/test_dense.py +377 -0
  235. k3_node/layers/functional/__init__.py +13 -0
  236. k3_node/layers/functional/bro.py +49 -0
  237. k3_node/layers/functional/edge_dropout.py +55 -0
  238. k3_node/layers/functional/gini.py +44 -0
  239. k3_node/layers/functional/test_functional.py +34 -0
  240. k3_node/layers/kge/__init__.py +17 -0
  241. k3_node/layers/kge/base.py +255 -0
  242. k3_node/layers/kge/complex.py +98 -0
  243. k3_node/layers/kge/distmult.py +79 -0
  244. k3_node/layers/kge/loader.py +50 -0
  245. k3_node/layers/kge/rotate.py +103 -0
  246. k3_node/layers/kge/test_kge.py +76 -0
  247. k3_node/layers/kge/transe.py +96 -0
  248. k3_node/layers/norm/__init__.py +23 -0
  249. k3_node/layers/norm/batch_norm.py +328 -0
  250. k3_node/layers/norm/diff_group_norm.py +141 -0
  251. k3_node/layers/norm/graph_norm.py +105 -0
  252. k3_node/layers/norm/graph_size_norm.py +57 -0
  253. k3_node/layers/norm/instance_norm.py +163 -0
  254. k3_node/layers/norm/layer_norm.py +245 -0
  255. k3_node/layers/norm/mean_subtraction_norm.py +57 -0
  256. k3_node/layers/norm/msg_norm.py +58 -0
  257. k3_node/layers/norm/pair_norm.py +94 -0
  258. k3_node/layers/norm/test_norm.py +275 -0
  259. k3_node/layers/pool/__init__.py +83 -0
  260. k3_node/layers/pool/approx_knn.py +101 -0
  261. k3_node/layers/pool/asap.py +173 -0
  262. k3_node/layers/pool/avg_pool.py +165 -0
  263. k3_node/layers/pool/cluster_pool.py +168 -0
  264. k3_node/layers/pool/connect/__init__.py +10 -0
  265. k3_node/layers/pool/connect/base.py +103 -0
  266. k3_node/layers/pool/connect/filter_edges.py +113 -0
  267. k3_node/layers/pool/consecutive.py +30 -0
  268. k3_node/layers/pool/decimation.py +48 -0
  269. k3_node/layers/pool/edge_pool.py +189 -0
  270. k3_node/layers/pool/glob.py +139 -0
  271. k3_node/layers/pool/graclus.py +66 -0
  272. k3_node/layers/pool/knn.py +253 -0
  273. k3_node/layers/pool/max_pool.py +159 -0
  274. k3_node/layers/pool/mem_pool.py +145 -0
  275. k3_node/layers/pool/pan_pool.py +144 -0
  276. k3_node/layers/pool/point_cloud.py +212 -0
  277. k3_node/layers/pool/pool.py +119 -0
  278. k3_node/layers/pool/sag_pool.py +174 -0
  279. k3_node/layers/pool/select/__init__.py +10 -0
  280. k3_node/layers/pool/select/base.py +112 -0
  281. k3_node/layers/pool/select/topk.py +206 -0
  282. k3_node/layers/pool/test_pool.py +456 -0
  283. k3_node/layers/pool/topk_pool.py +103 -0
  284. k3_node/layers/pool/voxel_grid.py +70 -0
  285. k3_node/layers/unpool/__init__.py +9 -0
  286. k3_node/layers/unpool/knn_interpolate.py +57 -0
  287. k3_node/layers/unpool/test_unpool.py +31 -0
  288. k3_node/loader/__init__.py +62 -0
  289. k3_node/loader/base.py +69 -0
  290. k3_node/loader/cache.py +68 -0
  291. k3_node/loader/cluster.py +127 -0
  292. k3_node/loader/data_list_loader.py +45 -0
  293. k3_node/loader/dataloader.py +117 -0
  294. k3_node/loader/dense_data_loader.py +62 -0
  295. k3_node/loader/dynamic_batch_sampler.py +93 -0
  296. k3_node/loader/graph_saint.py +188 -0
  297. k3_node/loader/hgt_loader.py +90 -0
  298. k3_node/loader/imbalanced_sampler.py +87 -0
  299. k3_node/loader/keras_dataset.py +334 -0
  300. k3_node/loader/link_loader.py +179 -0
  301. k3_node/loader/link_neighbor_loader.py +202 -0
  302. k3_node/loader/mixin.py +190 -0
  303. k3_node/loader/neighbor_loader.py +159 -0
  304. k3_node/loader/neighbor_sampler.py +167 -0
  305. k3_node/loader/node_loader.py +185 -0
  306. k3_node/loader/prefetch.py +115 -0
  307. k3_node/loader/random_node_loader.py +89 -0
  308. k3_node/loader/sampler_utils.py +499 -0
  309. k3_node/loader/shadow.py +115 -0
  310. k3_node/loader/temporal_dataloader.py +98 -0
  311. k3_node/loader/test_dataloader.py +113 -0
  312. k3_node/loader/test_keras_dataset.py +221 -0
  313. k3_node/loader/test_neighbor_loader.py +122 -0
  314. k3_node/loader/test_sampler_utils.py +82 -0
  315. k3_node/loader/test_samplers.py +96 -0
  316. k3_node/loader/test_subgraph_loaders.py +89 -0
  317. k3_node/loader/utils.py +232 -0
  318. k3_node/loader/zip_loader.py +88 -0
  319. k3_node/metrics.py +94 -0
  320. k3_node/models/__init__.py +424 -0
  321. k3_node/models/attentive_fp.py +232 -0
  322. k3_node/models/attract_repel.py +108 -0
  323. k3_node/models/autoencoder.py +318 -0
  324. k3_node/models/basic_gnn.py +443 -0
  325. k3_node/models/bio/__init__.py +4 -0
  326. k3_node/models/captum.py +52 -0
  327. k3_node/models/chemistry/__init__.py +4 -0
  328. k3_node/models/correct_and_smooth.py +146 -0
  329. k3_node/models/deep_graph_infomax.py +113 -0
  330. k3_node/models/deepgcn.py +121 -0
  331. k3_node/models/dimenet.py +737 -0
  332. k3_node/models/dimenet_utils.py +153 -0
  333. k3_node/models/gnnff.py +263 -0
  334. k3_node/models/gps_model.py +1122 -0
  335. k3_node/models/gpse.py +638 -0
  336. k3_node/models/graph_unet.py +199 -0
  337. k3_node/models/graphmae2.py +954 -0
  338. k3_node/models/graphormer.py +1258 -0
  339. k3_node/models/graphormer_3d.py +868 -0
  340. k3_node/models/grover.py +1066 -0
  341. k3_node/models/jumping_knowledge.py +200 -0
  342. k3_node/models/label_prop.py +110 -0
  343. k3_node/models/lightgcn.py +171 -0
  344. k3_node/models/linkx.py +181 -0
  345. k3_node/models/lpformer.py +404 -0
  346. k3_node/models/mask_label.py +114 -0
  347. k3_node/models/materials/__init__.py +33 -0
  348. k3_node/models/meta.py +133 -0
  349. k3_node/models/metapath2vec.py +234 -0
  350. k3_node/models/mlp.py +264 -0
  351. k3_node/models/mole_bert.py +379 -0
  352. k3_node/models/neural_fingerprint.py +95 -0
  353. k3_node/models/node2vec.py +213 -0
  354. k3_node/models/pmlp.py +157 -0
  355. k3_node/models/polynormer.py +229 -0
  356. k3_node/models/rect.py +93 -0
  357. k3_node/models/renet.py +221 -0
  358. k3_node/models/rev_gnn.py +128 -0
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+ Root-Is-Purelib: true
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+ Tag: py3-none-any
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+
@@ -0,0 +1,21 @@
1
+ MIT License
2
+
3
+ Copyright (c) 2024 Muhammad Anas Raza
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+
5
+ Permission is hereby granted, free of charge, to any person obtaining a copy
6
+ of this software and associated documentation files (the "Software"), to deal
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+ in the Software without restriction, including without limitation the rights
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+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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+ copies of the Software, and to permit persons to whom the Software is
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+ furnished to do so, subject to the following conditions:
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+
12
+ The above copyright notice and this permission notice shall be included in all
13
+ copies or substantial portions of the Software.
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+
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+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
16
+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
18
+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
19
+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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+ SOFTWARE.
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+ k3_node