| Path |
Digest |
Size |
| datamol/__init__.py |
sha256=BQFKgNJ0gpuZiEwbHASvplBVbkNzTfY_g7BVFWzQt7Q
|
12013 |
| datamol/_sanifix4.py |
sha256=79tskdzeCAs7Rj0EbyNLNDQ1V5QCY9BpnqyRdIk3YjA
|
4074 |
| datamol/_version.py |
sha256=ZzJ2COQunyfcy6rQXoKt74XtJ1QdhpPpHv2V2bPwtCQ
|
1145 |
| datamol/align.py |
sha256=xhivnJyFsq-j2YZPqSqrufEkz4ddx7NzKOsHqMtt2iE
|
9476 |
| datamol/cluster.py |
sha256=R3bXEBeiWgGeQM9QrfoM-z6DBb7GuKhwcux3Jnw1O3A
|
9818 |
| datamol/convert.py |
sha256=OAkRveW1rgVzswXxgxjKUkEMv60gE1vIEycqPiyGJck
|
17388 |
| datamol/fp.py |
sha256=hhr16Umyp-QaPsMcgnz_yhTOT-uWYEzkOm1veY8fNa4
|
10420 |
| datamol/graph.py |
sha256=PWb-eUKIViMhvWjqnEYDYBBIdj51l01uoFZX91rPcFE
|
13194 |
| datamol/io.py |
sha256=JPm6Cbwq2uH6Bcby-BSowFD2JIw2_y4QyRDNUGLYksA
|
21045 |
| datamol/log.py |
sha256=1ptVl2pt_IVLKp150zWhws-LrhhUe_5vUhSGYRTyyn4
|
3638 |
| datamol/mcs.py |
sha256=XIIVRQGWwqduqH_DbVwKnbPdoDAvlXvI-F7g5juLdTM
|
3094 |
| datamol/mol.py |
sha256=WVctl570-pQ9WtZv0Ol2UKCSUykoryS3GKK21Oc1MvE
|
45618 |
| datamol/molar.py |
sha256=MJzMYk8vNeVF7C74FEGL1YuhoaeSBwPuJNZEFbKT-gk
|
1633 |
| datamol/similarity.py |
sha256=sOAW_Sdaa52Z-AgznpCkfnR2TRjXZPJ-jWKRtMDmLDU
|
2917 |
| datamol/types.py |
sha256=otQ2K0LINwgxzRSvosYfLX43pYY8c4tzaPcCOVcmEms
|
580 |
| datamol/conformers/__init__.py |
sha256=EjMaDZMKg1ojAZ9Eft011sX8EpKI6wWyY2c7jV4NmQs
|
356 |
| datamol/conformers/_conformers.py |
sha256=U9M6nW_vNVMOI4MSqa8pqXI7Vlpuy_E1YOjxpy-V978
|
17176 |
| datamol/conformers/_features.py |
sha256=K8dZUytiutcMmgfcxS9Q7Abv-bSG20W-zcLczaW4y00
|
4626 |
| datamol/data/__init__.py |
sha256=IvQFAKxJ3AV5pFUoiYH4cGVG1t0AImREWHqjRbzgF0M
|
6423 |
| datamol/data/cdk2.sdf |
sha256=WxFHbXGliffkrkK77TR-teEIkXVvJkacFL1Bp0qTvfY
|
160134 |
| datamol/data/chembl_approved_drugs.parquet |
sha256=vOXuyfhAqRadgUImn5GfiyGrYyhmt6Ohtfhfs498cfA
|
131064 |
| datamol/data/chembl_drugs.csv |
sha256=ZzgT24gioXp4rcBRRtYLz3lrvmFhwbmR6ruG5jxxzdQ
|
110131 |
| datamol/data/chembl_samples.csv |
sha256=kd4x0VYB3YyNkJ8zyWVci5Bz-zEf9SmFpK_SqclVbPw
|
109215 |
| datamol/data/freesolv.csv |
sha256=q1iV2RTuh8tWO9e5YR6GlSe7pFvsawFNNNxJWg-dy3I
|
32060 |
| datamol/data/reactions.json |
sha256=U5ACgbi5WoW6akCc5lYNWzu5qCtH5_H_gDColr0ZJgM
|
124841 |
| datamol/data/salts_solvents.smi |
sha256=059J9vq5_6mxhdtOho3LOu--VUruPkF1yA8KYQWpfYA
|
7835 |
| datamol/data/solubility.test.sdf |
sha256=cfushqdRRrL3oUL4k5wVlDXSCBP7wAIvn84FEPDn7gI
|
245735 |
| datamol/data/solubility.train.sdf |
sha256=GEp99CX0pUA9hXLHz4mNJZgBMy8Lf0_Pq5HMuauimU4
|
1376487 |
| datamol/descriptors/__init__.py |
sha256=GEdGyp8C8-oXipbDAgv7ywHfOay9XdSsY1qyl9UyCUM
|
1529 |
| datamol/descriptors/compute.py |
sha256=Ak08h68c9PkF_6YeVmsgI_Tl7ZopECclowkgSiz6l84
|
4736 |
| datamol/descriptors/descriptors.py |
sha256=G2vjA-DYEa9uose-cRDxQnIfX6fNMRv-Rx-sjixSV9U
|
4386 |
| datamol/fragment/__init__.py |
sha256=eZb_HOJuZzFv2u3xmtQJQxAaE5OgEIAjfXmpftGNp6w
|
293 |
| datamol/fragment/_assemble.py |
sha256=DDJvgLbZ2_cGMw3XIoVwzHnDU6MwkxIZKfLaSCBP0j8
|
15824 |
| datamol/fragment/_fragment.py |
sha256=TgGDlMbkCZLWkuEl_NTgfUXpq3Bgdul2GyUB9p2nyiA
|
5961 |
| datamol/isomers/__init__.py |
sha256=mFiar-dRs8ZyLIvVtAz147g9_juLzatLnqBxMfMaUZk
|
317 |
| datamol/isomers/_enumerate.py |
sha256=FKS7lAEYeau_DdCT-2f03xYZhRpRaIkrjw6OKeVI3oo
|
9595 |
| datamol/isomers/_structural.py |
sha256=mN4TqYX6kBSIrjCW4_b4RvjE7mCqgfjq28PHX7pP4eA
|
11357 |
| datamol/predictors/__init__.py |
sha256=X46aSEBvrzbMdlxYi-AYk2lOu8p_h7Olx4DFSsA0HD0
|
56 |
| datamol/predictors/esol.py |
sha256=UMyjja5e0_xNB5K3lgAlj55fIGskWSkM2EHGxW3mg3Y
|
2034 |
| datamol/reactions/__init__.py |
sha256=bbN8JQeatIcyYo1L8RJ4ucczG04c-NO1ha5CohBNmxc
|
731 |
| datamol/reactions/_attachments.py |
sha256=NX11XN79VI5XGyD6JQaTNa8WtlRgYFLc5oodv5e-MRU
|
3933 |
| datamol/reactions/_reactions.py |
sha256=g3h2ziadGQLasMkLymdi6IXaLTKIkzpC2JnAifRMktQ
|
8808 |
| datamol/scaffold/__init__.py |
sha256=_A_bO0uRoRQWiO2vFWVmQgHkc9NAh3QzWUTOsmZbtuk
|
74 |
| datamol/scaffold/_fuzzy.py |
sha256=HzaX974o7KRYB5HKu6lgFts4b8tY6z-OUJP30bBetwg
|
9430 |
| datamol/utils/__init__.py |
sha256=XdjePpe0a9989-17cxmJ15nIYKsz0EKv2Ym0IiuZl4E
|
166 |
| datamol/utils/decorators.py |
sha256=ilzV48OXdz_YkN1yyck024NlanOUC6fDdKCK8rye6-4
|
1303 |
| datamol/utils/fs.py |
sha256=d66Ch_WXqiHa7gZfeNv50slH5rfeP950rz_lXOrO1qI
|
12868 |
| datamol/utils/jobs.py |
sha256=KFNf5H7A4mCshIEO675Kx5AFXAidTmMoT5fYkO8vvl0
|
12203 |
| datamol/utils/perf.py |
sha256=72SivoF0ACfNP29G7M2Hf1smmkB3C4sMKSB53jERW90
|
1885 |
| datamol/utils/testing.py |
sha256=LMauKKH3IC5aLCS3oseBFoyoyKF2dwuea75MO0kig3Q
|
2140 |
| datamol/viz/__init__.py |
sha256=RHPDJIa4ZLclDp6NN_V6137epUilINULMp70MtdVi6w
|
265 |
| datamol/viz/_circle_grid.py |
sha256=Szh2MGkcn_8S9u8PUpJZYXMbodoeC4YlqevHn0vHpRw
|
17432 |
| datamol/viz/_conformers.py |
sha256=rZUzfkW0HyrQX-64nTICzghXmRFspWD3dXhLApASbU0
|
3182 |
| datamol/viz/_lasso_highlight.py |
sha256=vbV29foh7K3XWKsYlscqU_UB8UJfEYbZwr805DH_lkk
|
26667 |
| datamol/viz/_substructure.py |
sha256=TQSevibpC7tbZp8S9mOQraUtq39Hm9yg8f3Ic3gI4yo
|
2485 |
| datamol/viz/_viz.py |
sha256=hZzxoD2Dat05RsL0coHlDA3O33QbKZcdrEXAMfRc3qU
|
5569 |
| datamol/viz/utils.py |
sha256=__HjiV3yY6JhTI8B-mMEeNoqGr_mWECuqSSkBFy190I
|
4738 |
| datamol-0.12.5.dist-info/LICENSE |
sha256=uqZsFgKfWX2-g6Yc5vZavE3QDJKi6-SmdRavzrZuhwg
|
11315 |
| datamol-0.12.5.dist-info/METADATA |
sha256=rgMU2jNcXDkZMT5ENL97Kfujn2jzh4zL9-gEjrSEwx8
|
8034 |
| datamol-0.12.5.dist-info/WHEEL |
sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ
|
92 |
| datamol-0.12.5.dist-info/top_level.txt |
sha256=fIkruHVwIGOzu5svCwR8GR9DoZEWvBEV91ct_alnnUE
|
8 |
| datamol-0.12.5.dist-info/RECORD |
— |
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