Path |
Digest |
Size |
reinvent_chemistry/__init__.py |
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450 |
reinvent_chemistry/conversions.py |
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|
5328 |
reinvent_chemistry/descriptors.py |
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|
4380 |
reinvent_chemistry/file_reader.py |
sha256=bbMNo53qJv_Our3ag-fY0jESmeXvIeZgYEA49ECvsng
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3140 |
reinvent_chemistry/logging.py |
sha256=_4VJ08fl3QG5uy6d9mUAvxh0xwnWcYJATCBfdQI7b3g
|
4285 |
reinvent_chemistry/molecular_transformations.py |
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|
9097 |
reinvent_chemistry/phys_chem_descriptors.py |
sha256=nIfy_zaR_QAb4awl-TkcO8Sg0a7urgI8Qf5DVmJImvw
|
1739 |
reinvent_chemistry/similarity.py |
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|
485 |
reinvent_chemistry/tokens.py |
sha256=060e1whBSSl29d-Z0artHMxH629UdG2HAq8q8HqHAsI
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405 |
reinvent_chemistry/utils.py |
sha256=O4I5KOMSC_INltAqV1k6VK-AVuPNuyjN4qpO4ZQ7AYw
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304 |
reinvent_chemistry/enums/__init__.py |
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257 |
reinvent_chemistry/enums/component_specific_parameters_enum.py |
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4981 |
reinvent_chemistry/enums/descriptor_types_enum.py |
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reinvent_chemistry/enums/filter_types_enum.py |
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827 |
reinvent_chemistry/library_design/__init__.py |
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599 |
reinvent_chemistry/library_design/attachment_points.py |
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4266 |
reinvent_chemistry/library_design/bond_maker.py |
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9760 |
reinvent_chemistry/library_design/bond_mapper.py |
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4387 |
reinvent_chemistry/library_design/failing_reactions_enumerator.py |
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4306 |
reinvent_chemistry/library_design/fragment_filter.py |
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2845 |
reinvent_chemistry/library_design/fragment_reaction_slice_enumerator.py |
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7082 |
reinvent_chemistry/library_design/fragment_reactions.py |
sha256=mzJj42-aAcCIhvjAV2tBm6toCX-WMUzhSWT_kx7Lxos
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3887 |
reinvent_chemistry/library_design/fragmented_molecule.py |
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3497 |
reinvent_chemistry/library_design/aizynth/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
reinvent_chemistry/library_design/aizynth/aizynth_client.py |
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3106 |
reinvent_chemistry/library_design/aizynth/collection_of_pathways_dto.py |
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264 |
reinvent_chemistry/library_design/aizynth/synthetic_pathway_dto.py |
sha256=b1j3YJoPv_GDXsfIlxc4ydbuHma4ZPWQ9IwH0LW9Hfo
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131 |
reinvent_chemistry/library_design/dtos/__init__.py |
sha256=9HesNMo-mwEQbct9H6gFwHNiQl0_Ix2rnDflKVLOkd4
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453 |
reinvent_chemistry/library_design/dtos/failed_reaction_dto.py |
sha256=ZpID1Bi4yFMlqz3mrzZFeY_33WiRmPV1a3yGx4NZtx0
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129 |
reinvent_chemistry/library_design/dtos/filtering_condition_dto.py |
sha256=kckL284MpkPMOM5BMJtkiEZdDViy_c4FIqkzH_PoDi0
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168 |
reinvent_chemistry/library_design/dtos/reaction_dto.py |
sha256=cmGFOzOmC9oexrGll0BaICnuUeV7aw38AgJ0L2faEMs
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195 |
reinvent_chemistry/library_design/dtos/reaction_outcome_dto.py |
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reinvent_chemistry/library_design/dtos/slicing_conditions_dto.py |
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295 |
reinvent_chemistry/library_design/enums/__init__.py |
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reinvent_chemistry/library_design/enums/molecular_descriptors_enum.py |
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reinvent_chemistry/library_design/enums/scaffold_memory_fields.py |
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reinvent_chemistry/library_design/enums/slice_type_enum.py |
sha256=r-aV6lftDKUb71YGCDIijbGcFoLCVeu0ERK9w3Qv7TY
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335 |
reinvent_chemistry/library_design/reaction_definitions/__init__.py |
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0 |
reinvent_chemistry/library_design/reaction_definitions/blocks_for_compound_dto.py |
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357 |
reinvent_chemistry/library_design/reaction_definitions/building_block_pair_dto.py |
sha256=gp43R9sfRdgoMYG9MssKzFyAg0hCLt70mV22KVH4DyU
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132 |
reinvent_chemistry/library_design/reaction_definitions/building_blocks.py |
sha256=i5fSLC-UZmdL6Bhqmki5IxXXiaZwR_T5iZFAby9-63o
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4846 |
reinvent_chemistry/library_design/reaction_definitions/leaving_groups_dto.py |
sha256=nVIJl_xFGAa_VReM4ynYpVLtq5i7OmuWZ2levUBTJYw
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144 |
reinvent_chemistry/library_design/reaction_definitions/standard_definitions.py |
sha256=7QpYAFQd4BDTwSbEbFvYwzsGXZ7uFz-8kDYlCRqh_x4
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1963 |
reinvent_chemistry/library_design/reaction_filters/__init__.py |
sha256=NjKetdJ1A0HVKcXeB8yDmu7Zjt8BcK6iVIoGt9AiOw0
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105 |
reinvent_chemistry/library_design/reaction_filters/base_reaction_filter.py |
sha256=ECo8pdRt1YeSHZQYOP0_1fOVwk6kNIk2OMjd_G_YLw4
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211 |
reinvent_chemistry/library_design/reaction_filters/defined_selective_filter.py |
sha256=m97e6zEmvz0cDKXnkkiC6LAG0YjvPtcgpP1fqNe_mLU
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4861 |
reinvent_chemistry/library_design/reaction_filters/non_selective_filter.py |
sha256=L_T_vTTUXe9WR7WHacaTxKJFXFirNhwm8o__UMcFGwo
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4153 |
reinvent_chemistry/library_design/reaction_filters/reaction_filter.py |
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1241 |
reinvent_chemistry/library_design/reaction_filters/reaction_filter_configruation.py |
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reinvent_chemistry/library_design/reaction_filters/reaction_filter_enum.py |
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446 |
reinvent_chemistry/library_design/reaction_filters/selective_filter.py |
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4551 |
reinvent_chemistry/link_invent/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
reinvent_chemistry/link_invent/attachment_point_modifier.py |
sha256=slU8kJbyqnhh6JXQ7BFlazuDhBdi2FD-1q2q51dQ6TM
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2507 |
reinvent_chemistry/link_invent/bond_breaker.py |
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1819 |
reinvent_chemistry/link_invent/linker_descriptors.py |
sha256=U3Wn9Tzo0KnIllrxiY0YTEVmNszhas_f2W0EHNiOWPI
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9315 |
reinvent_chemistry/link_invent/molecule_with_highlighting.py |
sha256=v3h9AKivKIGbjfmy6S3xkzC80dV62R4_9VxC-kcrlsc
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3879 |
reinvent_chemistry/standardization/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
reinvent_chemistry/standardization/filter_configuration.py |
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147 |
reinvent_chemistry/standardization/filter_registry.py |
sha256=7hzs26gXhq-D-TEVJCc5oQExKpGwBmrfiOBzuMDzs1k
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7879 |
reinvent_chemistry/standardization/rdkit_standardizer.py |
sha256=ak1HOpI46rpfzucnf2W97Dr7Sw5pnViqUhHxhVYgBx4
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2328 |
reinvent_chemistry-0.0.51.dist-info/LICENSE |
sha256=6kbiFSfobTZ7beWiKnHpN902HgBx-Jzgcme0SvKqhKY
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1091 |
reinvent_chemistry-0.0.51.dist-info/METADATA |
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reinvent_chemistry-0.0.51.dist-info/WHEEL |
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reinvent_chemistry-0.0.51.dist-info/top_level.txt |
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reinvent_chemistry-0.0.51.dist-info/RECORD |
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