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requirements.txt
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requirements.txt
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black==23.12.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:0808494f2b2df923ffc5723ed3c7b096bd76341f6213989759287611e9837d50 \
--hash=sha256:1fa88a0f74e50e4487477bc0bb900c6781dbddfdfa32691e780bf854c3b4a47f \
--hash=sha256:25e57fd232a6d6ff3f4478a6fd0580838e47c93c83eaf1ccc92d4faf27112c4e \
--hash=sha256:2d9e13db441c509a3763a7a3d9a49ccc1b4e974a47be4e08ade2a228876500ec \
--hash=sha256:3e1b38b3135fd4c025c28c55ddfc236b05af657828a8a6abe5deec419a0b7055 \
--hash=sha256:3fa4be75ef2a6b96ea8d92b1587dd8cb3a35c7e3d51f0738ced0781c3aa3a5a3 \
--hash=sha256:4ce3ef14ebe8d9509188014d96af1c456a910d5b5cbf434a09fef7e024b3d0d5 \
--hash=sha256:4f0031eaa7b921db76decd73636ef3a12c942ed367d8c3841a0739412b260a54 \
--hash=sha256:602cfb1196dc692424c70b6507593a2b29aac0547c1be9a1d1365f0d964c353b \
--hash=sha256:6d1bd9c210f8b109b1762ec9fd36592fdd528485aadb3f5849b2740ef17e674e \
--hash=sha256:78baad24af0f033958cad29731e27363183e140962595def56423e626f4bee3e \
--hash=sha256:8d4df77958a622f9b5a4c96edb4b8c0034f8434032ab11077ec6c56ae9f384ba \
--hash=sha256:97e56155c6b737854e60a9ab1c598ff2533d57e7506d97af5481141671abf3ea \
--hash=sha256:9c4352800f14be5b4864016882cdba10755bd50805c95f728011bcb47a4afd59 \
--hash=sha256:a4d6a9668e45ad99d2f8ec70d5c8c04ef4f32f648ef39048d010b0689832ec6d \
--hash=sha256:a920b569dc6b3472513ba6ddea21f440d4b4c699494d2e972a1753cdc25df7b0 \
--hash=sha256:ae76c22bde5cbb6bfd211ec343ded2163bba7883c7bc77f6b756a1049436fbb9 \
--hash=sha256:b18fb2ae6c4bb63eebe5be6bd869ba2f14fd0259bda7d18a46b764d8fb86298a \
--hash=sha256:c04b6d9d20e9c13f43eee8ea87d44156b8505ca8a3c878773f68b4e4812a421e \
--hash=sha256:c88b3711d12905b74206227109272673edce0cb29f27e1385f33b0163c414bba \
--hash=sha256:dd15245c8b68fe2b6bd0f32c1556509d11bb33aec9b5d0866dd8e2ed3dba09c2 \
--hash=sha256:e0aaf6041986767a5e0ce663c7a2f0e9eaf21e6ff87a5f95cbf3675bfd4c41d2
certifi==2024.7.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:5a1e7645bc0ec61a09e26c36f6106dd4cf40c6db3a1fb6352b0244e7fb057c7b \
--hash=sha256:c198e21b1289c2ab85ee4e67bb4b4ef3ead0892059901a8d5b622f24a1101e90
charset-normalizer==3.3.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:06435b539f889b1f6f4ac1758871aae42dc3a8c0e24ac9e60c2384973ad73027 \
--hash=sha256:06a81e93cd441c56a9b65d8e1d043daeb97a3d0856d177d5c90ba85acb3db087 \
--hash=sha256:0a55554a2fa0d408816b3b5cedf0045f4b8e1a6065aec45849de2d6f3f8e9786 \
--hash=sha256:0b2b64d2bb6d3fb9112bafa732def486049e63de9618b5843bcdd081d8144cd8 \
--hash=sha256:10955842570876604d404661fbccbc9c7e684caf432c09c715ec38fbae45ae09 \
--hash=sha256:122c7fa62b130ed55f8f285bfd56d5f4b4a5b503609d181f9ad85e55c89f4185 \
--hash=sha256:1ceae2f17a9c33cb48e3263960dc5fc8005351ee19db217e9b1bb15d28c02574 \
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--hash=sha256:1f79682fbe303db92bc2b1136016a38a42e835d932bab5b3b1bfcfbf0640e519 \
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click==8.1.7 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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colorama==0.4.6 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" and platform_system == "Windows" \
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contourpy==1.2.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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cycler==0.12.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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cython==3.0.10 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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datasketch==1.6.5 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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e3fp==1.2.5 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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feature-engine==1.6.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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filelock==3.15.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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fonttools==4.53.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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fsspec==2024.6.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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future==1.0.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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grakel==0.1.10 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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idna==3.7 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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jinja2==3.1.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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joblib==1.4.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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kaleido==0.2.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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kiwisolver==1.4.5 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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littleutils==0.2.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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markupsafe==2.1.5 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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mordredcommunity==2.0.6 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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mpmath==1.3.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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mypy-extensions==1.0.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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networkit==10.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:0ff615156110510c3c44d538baf6f48caf06af0e0b9fe4e4e3a1c527d54598b7 \
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networkx==3.2.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:9f1bb5cf3409bf324e0a722c20bdb4c20ee39bf1c30ce8ae499c8502b0b5e0c6 \
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numpy==1.26.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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nvidia-cublas-cu12==12.1.3.1 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:2b964d60e8cf11b5e1073d179d85fa340c120e99b3067558f3cf98dd69d02906 \
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nvidia-cuda-cupti-cu12==12.1.105 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:bea8236d13a0ac7190bd2919c3e8e6ce1e402104276e6f9694479e48bb0eb2a4 \
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nvidia-cuda-nvrtc-cu12==12.1.105 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:0a98a522d9ff138b96c010a65e145dc1b4850e9ecb75a0172371793752fd46ed \
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nvidia-cuda-runtime-cu12==12.1.105 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:6e258468ddf5796e25f1dc591a31029fa317d97a0a94ed93468fc86301d61e40 \
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nvidia-cudnn-cu12==8.9.2.26 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:5ccb288774fdfb07a7e7025ffec286971c06d8d7b4fb162525334616d7629ff9
nvidia-cufft-cu12==11.0.2.54 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:794e3948a1aa71fd817c3775866943936774d1c14e7628c74f6f7417224cdf56 \
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nvidia-curand-cu12==10.3.2.106 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:75b6b0c574c0037839121317e17fd01f8a69fd2ef8e25853d826fec30bdba74a \
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nvidia-cusolver-cu12==11.4.5.107 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:74e0c3a24c78612192a74fcd90dd117f1cf21dea4822e66d89e8ea80e3cd2da5 \
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nvidia-cusparse-cu12==12.1.0.106 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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nvidia-nccl-cu12==2.18.1 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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nvidia-nvjitlink-cu12==12.5.82 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:e782564d705ff0bf61ac3e1bf730166da66dd2fe9012f111ede5fc49b64ae697 \
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nvidia-nvtx-cu12==12.1.105 ; platform_system == "Linux" and platform_machine == "x86_64" and python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:65f4d98982b31b60026e0e6de73fbdfc09d08a96f4656dd3665ca616a11e1e82 \
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ogb==1.3.6 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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outdated==0.2.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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packaging==24.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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pandas==2.1.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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pathspec==0.12.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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patsy==0.5.6 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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pillow==10.4.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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platformdirs==4.2.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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plotly==5.18.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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psutil==6.0.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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pyparsing==3.1.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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python-dateutil==2.9.0.post0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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pytz==2024.1 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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rdkit==2023.9.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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requests==2.32.3 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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scikit-fingerprints==1.5.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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scikit-learn==1.3.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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scipy==1.11.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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sdaxen-python-utilities==0.1.5 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:1c91a57766dc059b1400cc4f8c4555d351326d2582309e216bc62b3e541acfcd \
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setuptools==70.3.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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six==1.16.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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smart-open==7.0.4 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
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statsmodels==0.14.2 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:0e46e9d59293c1af4cc1f4e5248f17e7e7bc596bfce44d327c789ac27f09111b \
--hash=sha256:10f2b7611a61adb7d596a6d239abdf1a4d5492b931b00d5ed23d32844d40e48e \
--hash=sha256:201c3d00929c4a67cda1fe05b098c8dcf1b1eeefa88e80a8f963a844801ed59f \
--hash=sha256:29c78a7601fdae1aa32104c5ebff2e0b72c26f33e870e2f94ab1bcfd927ece9b \
--hash=sha256:4864a1c4615c5ea5f2e3b078a75bdedc90dd9da210a37e0738e064b419eccee2 \
--hash=sha256:50fcb633987779e795142f51ba49fb27648d46e8a1382b32ebe8e503aaabaa9e \
--hash=sha256:55d1742778400ae67acb04b50a2c7f5804182f8a874bd09ca397d69ed159a751 \
--hash=sha256:5827a12e3ede2b98a784476d61d6bec43011fedb64aa815f2098e0573bece257 \
--hash=sha256:7a91f6c4943de13e3ce2e20ee3b5d26d02bd42300616a421becd53756f5deb37 \
--hash=sha256:876794068abfaeed41df71b7887000031ecf44fbfa6b50d53ccb12ebb4ab747a \
--hash=sha256:8875823bdd41806dc853333cc4e1b7ef9481bad2380a999e66ea42382cf2178d \
--hash=sha256:890550147ad3a81cda24f0ba1a5c4021adc1601080bd00e191ae7cd6feecd6ad \
--hash=sha256:8e004cfad0e46ce73fe3f3812010c746f0d4cfd48e307b45c14e9e360f3d2510 \
--hash=sha256:90fd2f0110b73fc3fa5a2f21c3ca99b0e22285cccf38e56b5b8fd8ce28791b0f \
--hash=sha256:9edefa4ce08e40bc1d67d2f79bc686ee5e238e801312b5a029ee7786448c389a \
--hash=sha256:a87ef21fadb445b650f327340dde703f13aec1540f3d497afb66324499dea97a \
--hash=sha256:ac780ad9ff552773798829a0b9c46820b0faa10e6454891f5e49a845123758ab \
--hash=sha256:afbd92410e0df06f3d8c4e7c0e2e71f63f4969531f280fb66059e2ecdb6e0415 \
--hash=sha256:c254c66142f1167b4c7d031cf8db55294cc62ff3280e090fc45bd10a7f5fd029 \
--hash=sha256:df5d6f95c46f0341da6c79ee7617e025bf2b371e190a8e60af1ae9cabbdb7a97 \
--hash=sha256:eb0ba1ad3627705f5ae20af6b2982f500546d43892543b36c7bca3e2f87105e7 \
--hash=sha256:f36494df7c03d63168fccee5038a62f469469ed6a4dd6eaeb9338abedcd0d5f5 \
--hash=sha256:f450fcbae214aae66bd9d2b9af48e0f8ba1cb0e8596c6ebb34e6e3f0fec6542c \
--hash=sha256:f870d14a587ea58a3b596aa994c2ed889cc051f9e450e887d2c83656fc6a64bf
sympy==1.13.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:3b6af8f4d008b9a1a6a4268b335b984b23835f26d1d60b0526ebc71d48a25f57 \
--hash=sha256:6b0b32a4673fb91bd3cac3b55406c8e01d53ae22780be467301cc452f6680c92
tenacity==8.5.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:8bc6c0c8a09b31e6cad13c47afbed1a567518250a9a171418582ed8d9c20ca78 \
--hash=sha256:b594c2a5945830c267ce6b79a166228323ed52718f30302c1359836112346687
threadpoolctl==3.5.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:082433502dd922bf738de0d8bcc4fdcbf0979ff44c42bd40f5af8a282f6fa107 \
--hash=sha256:56c1e26c150397e58c4926da8eeee87533b1e32bef131bd4bf6a2f45f3185467
torch-geometric==2.4.0 ; python_version >= "3.11.dev0" and python_version < "3.12.dev0" \
--hash=sha256:343c6906d0678f16553c2d02b7267d0ec77eafb5b44324070ebcf7da8a934557 \