synkit 1.1.1__tar.gz → 1.1.2__tar.gz
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.
- {synkit-1.1.1 → synkit-1.1.2}/.gitignore +2 -1
- {synkit-1.1.1 → synkit-1.1.2}/PKG-INFO +7 -1
- {synkit-1.1.1 → synkit-1.1.2}/pyproject.toml +19 -1
- synkit-1.1.2/synkit/CRN/DAG/syncrn.py +919 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Hypergraph/conversion.py +6 -2
- synkit-1.1.2/synkit/CRN/Path/reachability.py +683 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Path/realizability.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Petri/persistence.py +0 -3
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Props/injectivity.py +1 -2
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Props/stoich.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Topo/automorphism.py +1 -3
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Topo/canon.py +4 -2
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Topo/wl_canon.py +152 -66
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/reaction.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/standardize.py +1 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/neutralize.py +30 -18
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Canon/canon_algs.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Hyrogen/_misc.py +78 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Hyrogen/hcomplete.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Hyrogen/hextend.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/dedup_matches.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/graph_morphism.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/wl_sel.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/chem_converter.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Apply/reactor_rule.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Apply/retro_reactor.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Compose/compose_rule.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/syn_rule.py +18 -6
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/mod_reactor.py +0 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/syn_reactor.py +6 -5
- synkit-1.1.2/synkit/__init__.py +3 -0
- synkit-1.1.2/synkit/version.py +7 -0
- synkit-1.1.1/synkit/CRN/DAG/dag.py +0 -671
- synkit-1.1.1/synkit/CRN/DAG/dcrn.py +0 -137
- synkit-1.1.1/synkit/CRN/DAG/sf.py +0 -321
- synkit-1.1.1/synkit/CRN/DAG/target_dag.py +0 -504
- synkit-1.1.1/synkit/CRN/Hypergraph/dag.py +0 -398
- synkit-1.1.1/synkit/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/LICENSE +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/README.md +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/DAG/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/DAG/crn.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/DAG/mod_crn.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Hypergraph/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Hypergraph/backend.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Hypergraph/hyperedge.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Hypergraph/hypergraph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Hypergraph/rxn.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Path/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Petri/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Petri/analyzer.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Petri/net.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Petri/semiflows.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Petri/structure.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Props/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Props/deficiency.py +1 -1
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Props/thermo.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Props/utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Stochastic/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/Topo/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/configs/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/configs/loader.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/configs/models.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/constants.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/crn_formula.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/enumerator.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/exceptions.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/explorer.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/helpers.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/motif.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/network.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/pathway.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/properties.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/dev_crn/viz.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/CRN/viz/crn_vis.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Cluster/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Cluster/butina.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Fingerprint/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Fingerprint/fp_calculator.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Fingerprint/smiles_featurizer.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Fingerprint/transformation_fp.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/atom_features.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/descriptors.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/formula.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/graph_annotator.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Molecule/valence.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/Mapper/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/Mapper/wl_mapper.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/aam_validator.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/balance_check.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/canon_rsmi.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/cleaning.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/deionize.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/fix_aam.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/radical_wildcard.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/standardize.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/Reaction/tautomerize.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Chem/utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Data/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Data/gen_partial_aam.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Canon/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Canon/canon_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Canon/nauty.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Context/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Context/hier_context.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Context/radius_expand.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/Descriptors/topology.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/Fingerprint/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/Fingerprint/wl_rxn_fps.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/graph_descriptors.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/graph_fps.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/graph_signature.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/hash_fps.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/morgan_fps.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/path_fps.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Feature/wl_hash.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Hyrogen/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/its_builder.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/its_construction.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/its_decompose.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/its_destruction.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/its_expand.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/its_relabel.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/normalize_aam.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/ITS/partial_its.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/group_comp.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/groupoid.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/mcs_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/mtg.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/mtg_explore.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/MTG/utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/approx_mcs.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/auto_est.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/automorphism.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/batch_cluster.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/graph_cluster.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/graph_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/mcs_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/multi_turbo_iso.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/orbit.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/partial_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/sing.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/subgraph_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Matcher/turbo_iso.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/fuse_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/graph_wc.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/its_merge.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/radwc.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/wc_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/Wildcard/wildcard.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/canon_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/syn_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Graph/utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/gml_to_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/graph_to_gml.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/graph_to_smarts.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/smarts_expander.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/smarts_generalizer.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/combinatorial/smarts_to_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/data_io.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/data_process.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/debug.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/dg_to_gml.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/gml_to_nx.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/graph_to_mol.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/mol_to_graph.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/nx_to_gml.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/IO/smiles_to_id.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Apply/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Apply/rule_matcher.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Apply/rule_rbl.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Compose/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Compose/rule_compose.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Compose/rule_mapping.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Compose/seq_comp.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Compose/valence_constrain.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/implict_rule.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/longest_path.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/molecule_rule.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/prune_templates.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/rule_utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/Modify/strip_rule.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Rule/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/MSR/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/MSR/multi_steps.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/MSR/path_finder.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Metrics/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Metrics/_base.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Metrics/_plot.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Metrics/_ranking.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/batch_reactor.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/benchmark.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/imba_engine.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/mod_aam.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/partial_engine.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/post_syn.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/rbl_engine.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/rule_filter.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/single_predictor.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/Reactor/strategy.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Synthesis/reactor_utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Utils/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Utils/utils.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/__init__.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/chemical_space.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/crn_vis.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/embedding.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/graph_visualizer.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/pdf_writer.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/rule_vis.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/Vis/rxn_vis.py +0 -0
- {synkit-1.1.1 → synkit-1.1.2}/synkit/examples.py +0 -0
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@@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: synkit
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Version: 1.1.
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Version: 1.1.2
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Summary: Utility for reaction modeling using graph grammar
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Project-URL: homepage, https://github.com/TieuLongPhan/SynKit
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Project-URL: source, https://github.com/TieuLongPhan/SynKit
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Requires-Dist: numpy>=2.2.0; extra == 'all'
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Requires-Dist: torch>=2.2.0; extra == 'all'
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Provides-Extra: docs
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Requires-Dist: graphviz; extra == 'docs'
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Requires-Dist: myst-parser; extra == 'docs'
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Requires-Dist: pydata-sphinx-theme; extra == 'docs'
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Requires-Dist: sphinx-copybutton; extra == 'docs'
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Requires-Dist: sphinx-design; extra == 'docs'
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Requires-Dist: sphinx-rtd-theme; extra == 'docs'
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Requires-Dist: sphinx-togglebutton; extra == 'docs'
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Requires-Dist: sphinx>=6.0; extra == 'docs'
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Requires-Dist: sphinxcontrib-bibtex; extra == 'docs'
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Description-Content-Type: text/markdown
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[project]
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name = "synkit"
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version = "1.1.
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version = "1.1.2"
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description = "Utility for reaction modeling using graph grammar"
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readme = "README.md"
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long-description = { file = "CHANGELOG.md" }
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[project.optional-dependencies]
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all = ["numpy>=2.2.0", "torch>=2.2.0"]
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docs = [
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# Core Sphinx
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"sphinx>=6.0",
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# Theme (primary) + fallback
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"pydata-sphinx-theme",
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# Your enabled extensions
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# Graphviz extension uses the `graphviz` Python package
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# (still requires the system `dot` binary to render diagrams)
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"graphviz",
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# Nice-to-have for markdown in docs if you ever add .md pages
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# (safe even if unused)
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]
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[project.urls]
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homepage = "https://github.com/TieuLongPhan/SynKit"
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source = "https://github.com/TieuLongPhan/SynKit"
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