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requirements.txt
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certifi==2024.2.2 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
--hash=sha256:0569859f95fc761b18b45ef421b1290a0f65f147e92a1e5eb3e635f9a5e4e66f \
--hash=sha256:dc383c07b76109f368f6106eee2b593b04a011ea4d55f652c6ca24a754d1cdd1
charset-normalizer==3.3.2 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
--hash=sha256:06435b539f889b1f6f4ac1758871aae42dc3a8c0e24ac9e60c2384973ad73027 \
--hash=sha256:06a81e93cd441c56a9b65d8e1d043daeb97a3d0856d177d5c90ba85acb3db087 \
--hash=sha256:0a55554a2fa0d408816b3b5cedf0045f4b8e1a6065aec45849de2d6f3f8e9786 \
--hash=sha256:0b2b64d2bb6d3fb9112bafa732def486049e63de9618b5843bcdd081d8144cd8 \
--hash=sha256:10955842570876604d404661fbccbc9c7e684caf432c09c715ec38fbae45ae09 \
--hash=sha256:122c7fa62b130ed55f8f285bfd56d5f4b4a5b503609d181f9ad85e55c89f4185 \
--hash=sha256:1ceae2f17a9c33cb48e3263960dc5fc8005351ee19db217e9b1bb15d28c02574 \
--hash=sha256:1d3193f4a680c64b4b6a9115943538edb896edc190f0b222e73761716519268e \
--hash=sha256:1f79682fbe303db92bc2b1136016a38a42e835d932bab5b3b1bfcfbf0640e519 \
--hash=sha256:2127566c664442652f024c837091890cb1942c30937add288223dc895793f898 \
--hash=sha256:22afcb9f253dac0696b5a4be4a1c0f8762f8239e21b99680099abd9b2b1b2269 \
--hash=sha256:25baf083bf6f6b341f4121c2f3c548875ee6f5339300e08be3f2b2ba1721cdd3 \
--hash=sha256:2e81c7b9c8979ce92ed306c249d46894776a909505d8f5a4ba55b14206e3222f \
--hash=sha256:3287761bc4ee9e33561a7e058c72ac0938c4f57fe49a09eae428fd88aafe7bb6 \
--hash=sha256:34d1c8da1e78d2e001f363791c98a272bb734000fcef47a491c1e3b0505657a8 \
--hash=sha256:37e55c8e51c236f95b033f6fb391d7d7970ba5fe7ff453dad675e88cf303377a \
--hash=sha256:3d47fa203a7bd9c5b6cee4736ee84ca03b8ef23193c0d1ca99b5089f72645c73 \
--hash=sha256:3e4d1f6587322d2788836a99c69062fbb091331ec940e02d12d179c1d53e25fc \
--hash=sha256:42cb296636fcc8b0644486d15c12376cb9fa75443e00fb25de0b8602e64c1714 \
--hash=sha256:45485e01ff4d3630ec0d9617310448a8702f70e9c01906b0d0118bdf9d124cf2 \
--hash=sha256:4a78b2b446bd7c934f5dcedc588903fb2f5eec172f3d29e52a9096a43722adfc \
--hash=sha256:4ab2fe47fae9e0f9dee8c04187ce5d09f48eabe611be8259444906793ab7cbce \
--hash=sha256:4d0d1650369165a14e14e1e47b372cfcb31d6ab44e6e33cb2d4e57265290044d \
--hash=sha256:549a3a73da901d5bc3ce8d24e0600d1fa85524c10287f6004fbab87672bf3e1e \
--hash=sha256:55086ee1064215781fff39a1af09518bc9255b50d6333f2e4c74ca09fac6a8f6 \
--hash=sha256:572c3763a264ba47b3cf708a44ce965d98555f618ca42c926a9c1616d8f34269 \
--hash=sha256:573f6eac48f4769d667c4442081b1794f52919e7edada77495aaed9236d13a96 \
--hash=sha256:5b4c145409bef602a690e7cfad0a15a55c13320ff7a3ad7ca59c13bb8ba4d45d \
--hash=sha256:6463effa3186ea09411d50efc7d85360b38d5f09b870c48e4600f63af490e56a \
--hash=sha256:65f6f63034100ead094b8744b3b97965785388f308a64cf8d7c34f2f2e5be0c4 \
--hash=sha256:663946639d296df6a2bb2aa51b60a2454ca1cb29835324c640dafb5ff2131a77 \
--hash=sha256:6897af51655e3691ff853668779c7bad41579facacf5fd7253b0133308cf000d \
--hash=sha256:68d1f8a9e9e37c1223b656399be5d6b448dea850bed7d0f87a8311f1ff3dabb0 \
--hash=sha256:6ac7ffc7ad6d040517be39eb591cac5ff87416c2537df6ba3cba3bae290c0fed \
--hash=sha256:6b3251890fff30ee142c44144871185dbe13b11bab478a88887a639655be1068 \
--hash=sha256:6c4caeef8fa63d06bd437cd4bdcf3ffefe6738fb1b25951440d80dc7df8c03ac \
--hash=sha256:6ef1d82a3af9d3eecdba2321dc1b3c238245d890843e040e41e470ffa64c3e25 \
--hash=sha256:753f10e867343b4511128c6ed8c82f7bec3bd026875576dfd88483c5c73b2fd8 \
--hash=sha256:7cd13a2e3ddeed6913a65e66e94b51d80a041145a026c27e6bb76c31a853c6ab \
--hash=sha256:7ed9e526742851e8d5cc9e6cf41427dfc6068d4f5a3bb03659444b4cabf6bc26 \
--hash=sha256:7f04c839ed0b6b98b1a7501a002144b76c18fb1c1850c8b98d458ac269e26ed2 \
--hash=sha256:802fe99cca7457642125a8a88a084cef28ff0cf9407060f7b93dca5aa25480db \
--hash=sha256:80402cd6ee291dcb72644d6eac93785fe2c8b9cb30893c1af5b8fdd753b9d40f \
--hash=sha256:8465322196c8b4d7ab6d1e049e4c5cb460d0394da4a27d23cc242fbf0034b6b5 \
--hash=sha256:86216b5cee4b06df986d214f664305142d9c76df9b6512be2738aa72a2048f99 \
--hash=sha256:87d1351268731db79e0f8e745d92493ee2841c974128ef629dc518b937d9194c \
--hash=sha256:8bdb58ff7ba23002a4c5808d608e4e6c687175724f54a5dade5fa8c67b604e4d \
--hash=sha256:8c622a5fe39a48f78944a87d4fb8a53ee07344641b0562c540d840748571b811 \
--hash=sha256:8d756e44e94489e49571086ef83b2bb8ce311e730092d2c34ca8f7d925cb20aa \
--hash=sha256:8f4a014bc36d3c57402e2977dada34f9c12300af536839dc38c0beab8878f38a \
--hash=sha256:9063e24fdb1e498ab71cb7419e24622516c4a04476b17a2dab57e8baa30d6e03 \
--hash=sha256:90d558489962fd4918143277a773316e56c72da56ec7aa3dc3dbbe20fdfed15b \
--hash=sha256:923c0c831b7cfcb071580d3f46c4baf50f174be571576556269530f4bbd79d04 \
--hash=sha256:95f2a5796329323b8f0512e09dbb7a1860c46a39da62ecb2324f116fa8fdc85c \
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--hash=sha256:9f96df6923e21816da7e0ad3fd47dd8f94b2a5ce594e00677c0013018b813458 \
--hash=sha256:a10af20b82360ab00827f916a6058451b723b4e65030c5a18577c8b2de5b3389 \
--hash=sha256:a50aebfa173e157099939b17f18600f72f84eed3049e743b68ad15bd69b6bf99 \
--hash=sha256:a981a536974bbc7a512cf44ed14938cf01030a99e9b3a06dd59578882f06f985 \
--hash=sha256:a9a8e9031d613fd2009c182b69c7b2c1ef8239a0efb1df3f7c8da66d5dd3d537 \
--hash=sha256:ae5f4161f18c61806f411a13b0310bea87f987c7d2ecdbdaad0e94eb2e404238 \
--hash=sha256:aed38f6e4fb3f5d6bf81bfa990a07806be9d83cf7bacef998ab1a9bd660a581f \
--hash=sha256:b01b88d45a6fcb69667cd6d2f7a9aeb4bf53760d7fc536bf679ec94fe9f3ff3d \
--hash=sha256:b261ccdec7821281dade748d088bb6e9b69e6d15b30652b74cbbac25e280b796 \
--hash=sha256:b2b0a0c0517616b6869869f8c581d4eb2dd83a4d79e0ebcb7d373ef9956aeb0a \
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--hash=sha256:beb58fe5cdb101e3a055192ac291b7a21e3b7ef4f67fa1d74e331a7f2124341c \
--hash=sha256:c002b4ffc0be611f0d9da932eb0f704fe2602a9a949d1f738e4c34c75b0863d5 \
--hash=sha256:c083af607d2515612056a31f0a8d9e0fcb5876b7bfc0abad3ecd275bc4ebc2d5 \
--hash=sha256:c180f51afb394e165eafe4ac2936a14bee3eb10debc9d9e4db8958fe36afe711 \
--hash=sha256:c235ebd9baae02f1b77bcea61bce332cb4331dc3617d254df3323aa01ab47bd4 \
--hash=sha256:cd70574b12bb8a4d2aaa0094515df2463cb429d8536cfb6c7ce983246983e5a6 \
--hash=sha256:d0eccceffcb53201b5bfebb52600a5fb483a20b61da9dbc885f8b103cbe7598c \
--hash=sha256:d965bba47ddeec8cd560687584e88cf699fd28f192ceb452d1d7ee807c5597b7 \
--hash=sha256:db364eca23f876da6f9e16c9da0df51aa4f104a972735574842618b8c6d999d4 \
--hash=sha256:ddbb2551d7e0102e7252db79ba445cdab71b26640817ab1e3e3648dad515003b \
--hash=sha256:deb6be0ac38ece9ba87dea880e438f25ca3eddfac8b002a2ec3d9183a454e8ae \
--hash=sha256:e06ed3eb3218bc64786f7db41917d4e686cc4856944f53d5bdf83a6884432e12 \
--hash=sha256:e27ad930a842b4c5eb8ac0016b0a54f5aebbe679340c26101df33424142c143c \
--hash=sha256:e537484df0d8f426ce2afb2d0f8e1c3d0b114b83f8850e5f2fbea0e797bd82ae \
--hash=sha256:eb00ed941194665c332bf8e078baf037d6c35d7c4f3102ea2d4f16ca94a26dc8 \
--hash=sha256:eb6904c354526e758fda7167b33005998fb68c46fbc10e013ca97f21ca5c8887 \
--hash=sha256:eb8821e09e916165e160797a6c17edda0679379a4be5c716c260e836e122f54b \
--hash=sha256:efcb3f6676480691518c177e3b465bcddf57cea040302f9f4e6e191af91174d4 \
--hash=sha256:f27273b60488abe721a075bcca6d7f3964f9f6f067c8c4c605743023d7d3944f \
--hash=sha256:f30c3cb33b24454a82faecaf01b19c18562b1e89558fb6c56de4d9118a032fd5 \
--hash=sha256:fb69256e180cb6c8a894fee62b3afebae785babc1ee98b81cdf68bbca1987f33 \
--hash=sha256:fd1abc0d89e30cc4e02e4064dc67fcc51bd941eb395c502aac3ec19fab46b519 \
--hash=sha256:ff8fa367d09b717b2a17a052544193ad76cd49979c805768879cb63d9ca50561
colorama==0.4.6 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" and platform_system == "Windows" \
--hash=sha256:08695f5cb7ed6e0531a20572697297273c47b8cae5a63ffc6d6ed5c201be6e44 \
--hash=sha256:4f1d9991f5acc0ca119f9d443620b77f9d6b33703e51011c16baf57afb285fc6
contourpy==1.2.1 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
--hash=sha256:00e5388f71c1a0610e6fe56b5c44ab7ba14165cdd6d695429c5cd94021e390b2 \
--hash=sha256:10a37ae557aabf2509c79715cd20b62e4c7c28b8cd62dd7d99e5ed3ce28c3fd9 \
--hash=sha256:11959f0ce4a6f7b76ec578576a0b61a28bdc0696194b6347ba3f1c53827178b9 \
--hash=sha256:187fa1d4c6acc06adb0fae5544c59898ad781409e61a926ac7e84b8f276dcef4 \
--hash=sha256:1a07fc092a4088ee952ddae19a2b2a85757b923217b7eed584fdf25f53a6e7ce \
--hash=sha256:1cac0a8f71a041aa587410424ad46dfa6a11f6149ceb219ce7dd48f6b02b87a7 \
--hash=sha256:1d59e739ab0e3520e62a26c60707cc3ab0365d2f8fecea74bfe4de72dc56388f \
--hash=sha256:2855c8b0b55958265e8b5888d6a615ba02883b225f2227461aa9127c578a4922 \
--hash=sha256:2e785e0f2ef0d567099b9ff92cbfb958d71c2d5b9259981cd9bee81bd194c9a4 \
--hash=sha256:309be79c0a354afff9ff7da4aaed7c3257e77edf6c1b448a779329431ee79d7e \
--hash=sha256:39f3ecaf76cd98e802f094e0d4fbc6dc9c45a8d0c4d185f0f6c2234e14e5f75b \
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--hash=sha256:49e70d111fee47284d9dd867c9bb9a7058a3c617274900780c43e38d90fe1205 \
--hash=sha256:4c75507d0a55378240f781599c30e7776674dbaf883a46d1c90f37e563453480 \
--hash=sha256:4c863140fafc615c14a4bf4efd0f4425c02230eb8ef02784c9a156461e62c965 \
--hash=sha256:4d8908b3bee1c889e547867ca4cdc54e5ab6be6d3e078556814a22457f49423c \
--hash=sha256:5b9eb0ca724a241683c9685a484da9d35c872fd42756574a7cfbf58af26677fd \
--hash=sha256:6022cecf8f44e36af10bd9118ca71f371078b4c168b6e0fab43d4a889985dbb5 \
--hash=sha256:6150ffa5c767bc6332df27157d95442c379b7dce3a38dff89c0f39b63275696f \
--hash=sha256:62828cada4a2b850dbef89c81f5a33741898b305db244904de418cc957ff05dc \
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--hash=sha256:a12a813949e5066148712a0626895c26b2578874e4cc63160bb007e6df3436fe \
--hash=sha256:a1eea9aecf761c661d096d39ed9026574de8adb2ae1c5bd7b33558af884fb2ce \
--hash=sha256:a31f94983fecbac95e58388210427d68cd30fe8a36927980fab9c20062645609 \
--hash=sha256:ac58bdee53cbeba2ecad824fa8159493f0bf3b8ea4e93feb06c9a465d6c87da8 \
--hash=sha256:af3f4485884750dddd9c25cb7e3915d83c2db92488b38ccb77dd594eac84c4a0 \
--hash=sha256:b33d2bc4f69caedcd0a275329eb2198f560b325605810895627be5d4b876bf7f \
--hash=sha256:b59c0ffceff8d4d3996a45f2bb6f4c207f94684a96bf3d9728dbb77428dd8cb8 \
--hash=sha256:bb6834cbd983b19f06908b45bfc2dad6ac9479ae04abe923a275b5f48f1a186b \
--hash=sha256:bd3db01f59fdcbce5b22afad19e390260d6d0222f35a1023d9adc5690a889364 \
--hash=sha256:bd7c23df857d488f418439686d3b10ae2fbf9bc256cd045b37a8c16575ea1040 \
--hash=sha256:c2528d60e398c7c4c799d56f907664673a807635b857df18f7ae64d3e6ce2d9f \
--hash=sha256:d31a63bc6e6d87f77d71e1abbd7387ab817a66733734883d1fc0021ed9bfa083 \
--hash=sha256:d4492d82b3bc7fbb7e3610747b159869468079fe149ec5c4d771fa1f614a14df \
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cycler==0.12.1 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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deepchem==2.7.1 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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fonttools==4.51.0 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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idna==3.7 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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matplotlib==3.8.3 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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numpy==1.24.4 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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packaging==24.0 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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pandas==2.1.3 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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pillow==10.3.0 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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pubchempy==1.0.4 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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pyparsing==3.1.2 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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python-dateutil==2.9.0.post0 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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pytz==2024.1 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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rdkit==2023.9.5 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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requests==2.31.0 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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scikit-learn==1.3.2 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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scipy==1.8.1 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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six==1.16.0 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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threadpoolctl==3.4.0 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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tqdm==4.66.1 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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tzdata==2024.1 ; python_version >= "3.10.dev0" and python_version < "3.11" \
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urllib3==2.2.1 ; python_version >= "3.10.dev0" and python_version < "3.11.dev0" \
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