aimsim/__init__.py,sha256=IC3PUXK9pl5TZ4HJLim9OEloH861WZaCpWhZq-S99Pw,125
aimsim/__main__.py,sha256=Vq3Zbdfgz_Zl0-LRY4-_2MnLBg-Cs07dixUgA7NbRcM,473
aimsim/exceptions.py,sha256=4A57s6BX3CUrWJx3YJRnCWvrAk_ejDSpdhQgsi3nQrs,863
aimsim/chemical_datastructures/__init__.py,sha256=dalBO1fZKfGK71DpAb3MTIYes-GbXVLOtq4GK2p0RRk,71
aimsim/chemical_datastructures/molecule.py,sha256=AcXJ0gYIoMZpksNUPHgJa7SluabnCfJ3VqivYOHMcns,11226
aimsim/chemical_datastructures/molecule_set.py,sha256=Uy2uZMWvAz34jkrU_i0jxOhWYSWBi7n3YzrREMrQ7i0,50489
aimsim/ops/__init__.py,sha256=Hjiw2FxxmvwOACx1MMJkNY9JbJbjhe_cNiwJJ3URerc,121
aimsim/ops/clustering.py,sha256=Zrb1AuOEpV9ojNwgF3hqF3t6z5Wf5vmwH5sGIq-LVHQ,7322
aimsim/ops/descriptor.py,sha256=kV0XTRua8KoY7_7SwaS-H3Ngbsib-zU3N4F8s1Dwls8,135061
aimsim/ops/similarity_measures.py,sha256=4VGbVm7JGWf_Lg67hTayZH5mvVdOozfycqAml2_aLJU,84247
aimsim/tasks/__init__.py,sha256=UVZoTzhldxNJ3SnUe2BGqicKqdH8HcIQYNhr92697_w,423
aimsim/tasks/cluster_data.py,sha256=qDCy660aIVsZbEguPPJ-fznJMHeoCJPsThqyuuDbs-M,7126
aimsim/tasks/compare_target_molecule.py,sha256=rKjwBbgTdz8JsoGGalbWizYVrWipx9ErXo88hbPmV0s,6824
aimsim/tasks/identify_outliers.py,sha256=d9yrBi7nOlzJbGWxdrF_CBBpkfB-j1aJZfUPbXb_dv8,3145
aimsim/tasks/measure_search.py,sha256=NVxOMPKz3Z-4e3uaDLRFPes1dZvEJQ9CjnzkOkUv2m8,16127
aimsim/tasks/see_property_variation_with_similarity.py,sha256=DaaW8Oyjf8s8Sp8eqAhJv3hOCsSx3oL-dl-cq0jJQ7I,7055
aimsim/tasks/task.py,sha256=oNGXfStl53YDejP5Z-_EaC5g5AiMv6z6hY4jh2FDm9w,509
aimsim/tasks/task_manager.py,sha256=-4FfYrert9XnOhenEJzuaV_GGHcSD58UgMA5GwIyajQ,6423
aimsim/tasks/visualize_dataset.py,sha256=G9Cs37Wvq6r_iOdP9J_55Ttf9miMDG61L6Roim5xea4,4390
aimsim/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
aimsim/utils/ccbmlib_fingerprints.py,sha256=2oupORjsFOL_66mY_RoulZPTjHxweoaVp9LJ1bRo5Yo,3973
aimsim/utils/plotting_scripts.py,sha256=5Wadaen89xBxCSoBB2hn2EyaDPcG3sH5HLgpGU8dGys,19439
interfaces/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
interfaces/config_reader.py,sha256=S0uioWk2cDwxo81TQODNR6eaodIsdJ_CsZ7XSU6YqpQ,2145
interfaces/UI/AIMSim-GUI-corner-logo.png,sha256=HHKA873JKMA_EC1zxXntWRy3VSvCiCXgtE7Zm5n9D4c,31374
interfaces/UI/AIMSim-logo.png,sha256=tQ-aCyWHPmE7Pvv3Vq4OFGcJy0R98fU_67uYGhiKQZQ,90321
interfaces/UI/AIMSim_ui_main.py,sha256=vqY0WNaMi6QgS4BmMHUMHyzDmrATL-HNVZThX2G3mBc,19864
interfaces/UI/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
tests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
tests/sulfonamide-substrate-scope-PDF.png,sha256=R1YNL1Oayxw12ofwfwfCceuJ0uvDBw0vjOnErgZXqrk,29710
tests/sulfonamide-substrate-scope.png,sha256=BOZpbBQaQ8hTo9QFzF7_ktnVGezautXmy3H83Rl6nC0,147925
tests/test_CompareTargetMolecule.py,sha256=wlEinYd_xKQK6RJc0u67NV3qNFBpEo1Z3lcnwwh8djw,8133
tests/test_Descriptor.py,sha256=FrsaOneWLHznkhLOyw8p4D_0xgpVXVNWYim6DJWE50M,17504
tests/test_LoadingErrorException.py,sha256=sxfykmPQV7TuxtRwXe8iuHIJlOdLCbOx6V86MK9MQZE,1495
tests/test_MeasureSearch.py,sha256=hZ19WDg5hyY0_4MLhrZxqcOT9h-zWgRUWioO8bHGLxg,10585
tests/test_Molecule.py,sha256=flQK4uX9cwQ7-d4T7jVqJGDbqBEC1PpCGWDbIrrAP-E,12826
tests/test_MoleculeSet.py,sha256=9LFYpQGhY_hKRh_ISKkVBl_RYXHG4YkoLE-IiiFpTrI,54914
tests/test_SimilarityMeasure.py,sha256=xHiPUF49Q_D-UD-vXnIf2Dg1IcNtQvJ6zPoqo-_FOVU,6545
tests/test_SimilarityMeasureValueErrors.py,sha256=Ywz5g_HjN_ownNExEafQAKSidflcrmkoVJcYOjtvJ1U,2321
tests/test_TaskManager.py,sha256=5_j_sIqBNa9UJ27T3LDymtrVYdZuVl4CEBLbPbz7_og,3686
tests/test_ToolTip.py,sha256=PMEs27y4RZmDDmrlbAd2cj8VPIYAo1Gr8IaMR2RGRIc,533
tests/test_multithreading.py,sha256=daRV_-Ii-wD9FbQBO0nqnUU3fmJyPey6p73xoH48DRg,67744
tests/data/README.md,sha256=TDvL18z5UUv63v3FyqUED_jSVbVDeN4mzkJfN1Ostbc,432
aimsim-1.1.1.dist-info/LICENSE,sha256=ihvlUuB2j43TzQBWAkCPTWkCkP2PYbOF86iP_OmRxYk,1116
aimsim-1.1.1.dist-info/METADATA,sha256=ryi8TAulp0cdOlMgAN2BM8BOZ5GM6Y0dkVCUxQ9nHLw,13098
aimsim-1.1.1.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
aimsim-1.1.1.dist-info/entry_points.txt,sha256=1oP3uQS8Mu-oKOcumSBxVlYIkhW2jNWkHWN16ghEpDo,56
aimsim-1.1.1.dist-info/top_level.txt,sha256=I3po-dddLpVcmpBvGoNoSF75IBXHKZSZTg6ORzCRrRs,24
aimsim-1.1.1.dist-info/RECORD,,
