mol-healer 0.1.1__py3-none-any.whl → 0.1.3__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (14) hide show
  1. healer/__init__.py +1 -1
  2. healer/cli.py +2 -1
  3. healer/data/reactions/reaction_tags.txt +116 -0
  4. healer/utils/utils.py +16 -0
  5. healer/web/interface.py +4 -6
  6. healer/web/routes.py +1 -0
  7. healer/web/static/assets/{index-26iheSaM.js → index-CNuOgwuw.js} +24 -24
  8. healer/web/static/index.html +1 -1
  9. {mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/METADATA +1 -1
  10. {mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/RECORD +14 -13
  11. {mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/WHEEL +1 -1
  12. {mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/entry_points.txt +0 -0
  13. {mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/licenses/LICENSE +0 -0
  14. {mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/top_level.txt +0 -0
healer/web/static/index.html CHANGED
@@ -5,7 +5,7 @@
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  <link rel="icon" type="image/x-icon" href="/favicon.ico" />
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  <meta name="viewport" content="width=device-width, initial-scale=1.0" />
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  <title>HEALER Web</title>
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- <script type="module" crossorigin src="/assets/index-26iheSaM.js"></script>
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+ <script type="module" crossorigin src="/assets/index-CNuOgwuw.js"></script>
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  <link rel="stylesheet" crossorigin href="/assets/index-CKoNYPy6.css">
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  </head>
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  <body>
{mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: mol-healer
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- Version: 0.1.1
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+ Version: 0.1.3
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  Summary: Hit Expansion to Advanced Leads Using Enumerated Reactions
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  Author-email: Enes Kelestemur <enesk@email.unc.edu>
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  License-Expression: MIT
{mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/RECORD RENAMED
@@ -1,5 +1,5 @@
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- healer/__init__.py,sha256=Ig7dSjq3Zf6apKqnRP75xNhSlMLJzaTHNlpzZNbm1XQ,431
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- healer/cli.py,sha256=yyBwf9v9mYtXaL3TBxlRCdlxHgIAyB7dQ6CttAnJIKA,16974
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+ healer/__init__.py,sha256=a4yVIxaJH45Oz3q-76W8j7dJu6_4DTi-LELKwdYjPGs,431
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+ healer/cli.py,sha256=j1gt7UmqpDBvM2in1imIeIWBwzm52SFtlWuKae5aZ9g,17064
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  healer/application/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  healer/application/healer.py,sha256=hgUoQuW5FUjRLo5SMynOdAwVww054vK0tgafEDSZp08,45443
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  healer/application/optimizers.py,sha256=XoKQQxaZHfFt0N74KHG3CkW7AHoS4KmDzOxvKtjxK4s,2957
@@ -7,6 +7,7 @@ healer/application/tree_builder.py,sha256=dQIzyWisGPaYxWsfQk8O47ym41IXK75PRSr48X
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  healer/data/buildingblocks/test_100_bb.sdf,sha256=sCJNoUYUIZ5yk08Kil2F2JZqk1uV9PQQ_nEWvT5ekIs,182522
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  healer/data/buildingblocks/test_100_bb_processed.sdf,sha256=ilttA66pEMiQRInnbzbxa7StlZOQe-YU6xTOuxOiI2g,211244
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  healer/data/reactions/datamol_rxns.json,sha256=U5ACgbi5WoW6akCc5lYNWzu5qCtH5_H_gDColr0ZJgM,124841
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+ healer/data/reactions/reaction_tags.txt,sha256=oCVaJWh2HYOIPcBQyWc-0JGA4cUBEGfqLy_ehy30JA4,1289
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  healer/data/reactions/reactions.json,sha256=igc22PjxDGFVmqL30eHRxIElfxjbOZRZbY_JBeXIXeQ,104767
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  healer/domain/__init__.py,sha256=Ovxx74hGMxzes9_ajTu-OPlgvgB_IzJW8akq6oSM9Is,704
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  healer/domain/bb_repository.py,sha256=Zk8eVL0H2KekgI_FBkoE56AKjFrzBzIJFrF6uGUoLDs,9981
@@ -20,18 +21,18 @@ healer/scripts/preprocess_bb_source.py,sha256=uGYW6MF_THW6xHa6PAv89OqaMV3mhba3tv
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  healer/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  healer/utils/plotting.py,sha256=ZKuQlsFUDPS7gFpl1izXPhvEawOF9Rs2ktFQNVkpnEI,3914
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  healer/utils/rdkit_monkey_patch.py,sha256=1nlnmf6I71rEgvFnUctVzN-xdC_rfCKfU8QeUWp1UoM,2247
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- healer/utils/utils.py,sha256=3o02Y75LKUxXTeZkeo8UpT3C775NX--wsvpYTaHawUU,13488
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+ healer/utils/utils.py,sha256=gER-E_WQ-V10aFhIoTedaQl85gHfbxPabve2uf03XjA,13971
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  healer/web/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  healer/web/app.py,sha256=VzgXg5Bfh-2HqGRX_aPINOV9WnU3MlXTfPP-5IClsqo,2022
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  healer/web/celery_worker.py,sha256=tBfr1M70gKQBqDC-hbIJYR5BD3Oyrud2QMut90pbx2c,2061
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- healer/web/interface.py,sha256=ODjJOdYV06idnYcBiBq_vUZPLwhF5X8FT2NjG80YYQ4,12886
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+ healer/web/interface.py,sha256=DtwAf-qvLoNuGH1uJOrX9gH7FoGhTkTARjqlTLyBQ_M,12788
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  healer/web/models.py,sha256=90pxipzFaaYTGyKs209A4qfsAE5MxSxh8piWZGdPE18,3624
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- healer/web/routes.py,sha256=jiqH-T50s-m5lY8jXJibg3ftXGEMo9JVZS0Ko8rU86Y,12412
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+ healer/web/routes.py,sha256=hNWJUVxqgQvzGOrmGy11q8EISDymHT1bNfvzjiktpj4,12494
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  healer/web/static/favicon.ico,sha256=iBN6OD9gAV_xtgnxNyfAIGXjmfn5ZFzGLN0gPvYND5I,90465
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  healer/web/static/healer_logo_no_text.png,sha256=eYXkXR90E45MwUeMWByF_3w4sHuPJdNbdewJebiQOQs,1467095
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- healer/web/static/index.html,sha256=hRnIsb3ACMzz8hm8nu8oXNey4LanTh9xygMPffmz6TE,459
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- healer/web/static/assets/index-26iheSaM.js,sha256=GHcXzhy5lbt7GhWKOYp7b49VzaTUmcCNBGFh2NNfoFM,538012
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+ healer/web/static/index.html,sha256=5TpG_XuthCPVu6X2uZCtNnZbWR5hwq0wDK5-S2cqvLk,459
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  healer/web/static/assets/index-CKoNYPy6.css,sha256=F2ldYv-BRHFMewdVMzTXowZhhn9LVSH8qk5sz-IkfPg,202264
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+ healer/web/static/assets/index-CNuOgwuw.js,sha256=KCP0vSF0sfUkoLkSQCwHDG35LA0wNX9H26QfKJ0_OvA,538533
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  healer/web/static/ketcher/apple-touch-icon.png,sha256=9BTcssE-pZFVm2NzBwt6XU9ZtZ71kQxfoBOoDHShYqI,11817
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  healer/web/static/ketcher/apple-touch-icon.png:Zone.Identifier,sha256=160oCs1uFqzSg0a2FSaEUR881uUG0ZIhR4m7r4SMOQg,93
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  healer/web/static/ketcher/asset-manifest.json,sha256=WdlWdYc9jK_TzlFwXgVO54dwj8TWpS66UomoNvGRoWM,837
@@ -86,9 +87,9 @@ healer/web/static/ketcher/static/js/popup.a25226a6.js,sha256=vviCE9qtxlADgp3TRLp
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  healer/web/static/ketcher/static/js/popup.a25226a6.js.LICENSE.txt,sha256=u_7whDJJhaQXBb4LS6BSdFTHBUMfMa42Hyg3eJWE71M,2857
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  healer/web/static/ketcher/static/js/popup.a25226a6.js.LICENSE.txt:Zone.Identifier,sha256=160oCs1uFqzSg0a2FSaEUR881uUG0ZIhR4m7r4SMOQg,93
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  healer/web/static/ketcher/static/js/popup.a25226a6.js:Zone.Identifier,sha256=160oCs1uFqzSg0a2FSaEUR881uUG0ZIhR4m7r4SMOQg,93
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- mol_healer-0.1.1.dist-info/licenses/LICENSE,sha256=oxohyDXrpFqI-jDj7P6vVyvmx2VTSS-XmAhJlOM-f-U,1072
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- mol_healer-0.1.1.dist-info/METADATA,sha256=Oa8U1tnz8vbOM9btTO7AlDlB2tHS1g1WecGHcreK06w,10498
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- mol_healer-0.1.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- mol_healer-0.1.1.dist-info/entry_points.txt,sha256=s0D-WiNYMo692yK5-_O1_DYxnBdUh6uYqLBCT38IH8o,132
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- mol_healer-0.1.1.dist-info/top_level.txt,sha256=Xo-bGDCMbHJvDNZoKXsiFM7NpKo1R0koCUSZ04Ngm0E,7
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- mol_healer-0.1.1.dist-info/RECORD,,
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+ mol_healer-0.1.3.dist-info/licenses/LICENSE,sha256=oxohyDXrpFqI-jDj7P6vVyvmx2VTSS-XmAhJlOM-f-U,1072
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+ mol_healer-0.1.3.dist-info/METADATA,sha256=nKu9p4I7RVC2qvC4bpnPKKuWliGI1agSc6Y3oiKXkb0,10498
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+ mol_healer-0.1.3.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
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+ mol_healer-0.1.3.dist-info/entry_points.txt,sha256=s0D-WiNYMo692yK5-_O1_DYxnBdUh6uYqLBCT38IH8o,132
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+ mol_healer-0.1.3.dist-info/top_level.txt,sha256=Xo-bGDCMbHJvDNZoKXsiFM7NpKo1R0koCUSZ04Ngm0E,7
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+ mol_healer-0.1.3.dist-info/RECORD,,
{mol_healer-0.1.1.dist-info → mol_healer-0.1.3.dist-info}/WHEEL RENAMED
@@ -1,5 +1,5 @@
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  Wheel-Version: 1.0
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- Generator: setuptools (80.9.0)
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+ Generator: setuptools (80.10.2)
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  Root-Is-Purelib: true
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  Tag: py3-none-any
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