Commits · 19aa824d97446943d85409c9056f1abd11c60cfe · iPPIDB / ippidb-web

06 Dec, 2018 1 commit

refactor annotations to compound queryset to the model level · 19aa824d

Hervé MENAGER authored Dec 06, 2018

this is mainly to be used in compounds list, but will ultimately be
useful everywhere


Former-commit-id: 720068133a0e7c7f5d9bd562d77467ab70d0c477

19aa824d

05 Dec, 2018 3 commits
- fix slider width for value range selection in compounds list · 74a9218e
  Hervé MENAGER authored Dec 05, 2018
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Former-commit-id: 336907248c5fd6530c5a6fc30c7f50d9bee5ced1
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  74a9218e
- fix step value in value range sliders for compounds list · 7d679b2f
  Hervé MENAGER authored Dec 05, 2018
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fix #117


Former-commit-id: 6184f9a4029928dbedf0563027a91e0bd5d4f10b
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  7d679b2f
- add pubchem, chembl and chemspider ID existence filters · d3a444a1
  Hervé MENAGER authored Dec 05, 2018
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Former-commit-id: 0cd068ad893696c595d2f1583ed8bc747a2b5b73
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  d3a444a1
04 Dec, 2018 10 commits
- minor aesthetic corrections in the compound list templates · 20478206
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: ad31461b542c07e9bde04c12c3e8d0ee6d79f1ae
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  20478206
- add filters in compounds list for Best Activity, LE, LLE · be0d76cc
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: e6e8c1065d9526fb8cc9fcc52dc9e347a7ea0002
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  be0d76cc
- add filters in compounds list for Fsp3 · 3b7fd325
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: 8aa2d263276bc3cf11f836b8a5363f863d0e9c0e
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  3b7fd325
- add filters in compounds list for Number of chiral centers · 6f5fe6b5
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: d3328d6c2b84c2d6a511839e2fcaf16a4679d8ec
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  6f5fe6b5
- add filters in compounds list for Number of aromatic SSSR · 3b66f058
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: ab9cd59fce75fb0677c01468caeddcf193bd382f
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  3b66f058
- add filters in compounds list for Number of rotatable bonds · c8398755
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: 052aa3e3fbde36b60681f1c0e0ef7619cca01b72
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  c8398755
- add filters in compounds list for TPSA and Number of H acceptors · e53856de
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: 202acf23d3894ae95c7cce3e331f4f58628e0fb2
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  e53856de
- correct Pfizer's rule for TPSA comment in compound card · f78f2b7d
  Hervé MENAGER authored Dec 04, 2018
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must be >=75 Å


Former-commit-id: ac37561ed194d56b4c2889ba9f8467bcee2de90c
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  f78f2b7d
- refactor all "modal open" button templates into one · 813b0a66
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: 93c18b8ccb3cfc35517f56bc98e390565586a4fd
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  813b0a66
- correct default value for compounds list text search · dbd1cf9d
  Hervé MENAGER authored Dec 04, 2018
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Former-commit-id: 0467d19aebd7f9f35ffb79d53fc23164737759bb
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  dbd1cf9d
03 Dec, 2018 1 commit
- compounds list filters restructuration, WIP · 80f97389
  Hervé MENAGER authored Dec 03, 2018
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see #43


Former-commit-id: 5e83efe784626dbc5514e0f1af881069ed00a1a0
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  80f97389
02 Dec, 2018 2 commits
- do not include inherited members in Sphinx docs · 72996408
  Hervé MENAGER authored Dec 02, 2018
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Former-commit-id: 21006dac0d3d1935d020980c48b11833af210f1a
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  72996408
- improve code docstrings and Sphinx documentation · 7cb76db4
  Hervé MENAGER authored Dec 02, 2018
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Former-commit-id: afcd004395586bedc7b56193c0a63167346bd2f5
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  7cb76db4
28 Nov, 2018 1 commit
- First draft of iPPI-DB documentation · b5ab7368
  Hervé MENAGER authored Nov 28, 2018
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Former-commit-id: c5cf57b8237ac0ecb3e78c97f44ff3d333379b75
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  b5ab7368
26 Nov, 2018 3 commits
- correct Drugbank similarity computation settings · 66bc1df8
  Hervé MENAGER authored Nov 26, 2018
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Former-commit-id: be2fc631b7f308072897e5de8dc097217fdfdc47
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  66bc1df8
- set a configuration for fingerprints used for drugbank similarity · 001962ad
  Hervé MENAGER authored Nov 26, 2018
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see #96


Former-commit-id: f15dcfbe2583970f422c7b3c8f3536ea911a37ab
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  001962ad
- DB with FP4-computed fingerprints · a0a78b94
  Hervé MENAGER authored Nov 26, 2018
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Former-commit-id: f16908fb8db6625fca077d660bcf69d40273b5f9
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  a0a78b94
25 Nov, 2018 4 commits

modify unit tests according to ... · bc78027f

Hervé MENAGER authored Nov 25, 2018

modify unit tests according to cd607709 [formerly 7f0a26180c2fb18638e0293c5ecbc123b4a9271f]


Former-commit-id: 96be0abb7a66b2f590a093efb660a7d89f985b90

bc78027f

fix drugbank similarities computation · cd607709
Hervé MENAGER authored Nov 25, 2018
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see #96


Former-commit-id: 7f0a26180c2fb18638e0293c5ecbc123b4a9271f
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cd607709
display compound name in biblio in compound pharma tab · 400877c3
Hervé MENAGER authored Nov 25, 2018
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fix #112


Former-commit-id: 796b90220568670e837797c7fedb9123e424cb44
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400877c3

try removing useless param in lineinfile · c2e55665

Hervé MENAGER authored Nov 25, 2018

parameter "regexp" is useless (or should be) for BOF and EOF

Former-commit-id: 28d3fc25e832c1c8055bac57e1ba22a7b8d58614

c2e55665

24 Nov, 2018 3 commits

try another order in httpd.conf ansible inserts · 468b1911

Hervé MENAGER authored Nov 24, 2018

if performing insertafter then insertbefore, ansible does not perform 2nd insert correctly, probably due to something like https://github.com/ansible/ansible/issues/38219

Former-commit-id: 491848e5523deb9052ad545be2b10387a097f7a8

468b1911

ansible deploy file correction · 577f0813
Hervé MENAGER authored Nov 24, 2018
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(still on #115)

Former-commit-id: 985f99177fe0dc99b3cc16ff9e2693b59103eb94
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577f0813

set a higher size limit for GET URLs · f5d4a674

Hervé MENAGER authored Nov 24, 2018

this should solve the problem reported in #115

Former-commit-id: 465d0b971cd4987c0ab677c2401f1ef4bd768b18

f5d4a674

23 Nov, 2018 2 commits
- celery ippidb update · 217af39d
  Fabien MAREUIL authored Nov 23, 2018
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Former-commit-id: 2f5daa6d22fc125101c802ee3bce65f112ff0b2a
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  217af39d
- finalize drugbank compounds similarity computation · d27302bb
  Hervé MENAGER authored Nov 23, 2018
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Former-commit-id: 5f1bf6c840c68c4dbcc059f24b102d10efed5579
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  d27302bb
22 Nov, 2018 3 commits
- add bootstrap slider distributed js and css files · 72cd14f3
  Hervé MENAGER authored Nov 22, 2018
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Former-commit-id: d45b21f20933cbc726de41343d3e6fe91f21e59e
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  72cd14f3
- correct display problem for similar drugbank compounds in compound card · b3f653ec
  Hervé MENAGER authored Nov 22, 2018
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Former-commit-id: 5fe439b20c1b0cd5b3a39451dd9c6f21565f91a0
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  b3f653ec
- update smilesdrawer js component · 202d8949
  Hervé MENAGER authored Nov 22, 2018
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Former-commit-id: bc94749ae92391ca302d061e0218a52b76270ee0
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  202d8949
20 Nov, 2018 3 commits
- first draft to show similar drugbank compounds · ba83798f
  Hervé MENAGER authored Nov 20, 2018
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WIP on #96


Former-commit-id: ae2cb02a8bd669efa51c98bbf4d759cd78519434
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  ba83798f
- uncomment code from the import-drugbank command · cd7afec5
  Hervé MENAGER authored Nov 20, 2018
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see #96


Former-commit-id: d6eb71d8ac8a82292fb0b8fd591772440a7ac1f5
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  cd7afec5
- add Drugbank compound similarity computation · 0a597cbb
  Hervé MENAGER authored Nov 20, 2018
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Former-commit-id: 528aac3f93450a16ae1fb8cc56dda0cf0080afb2
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  0a597cbb
19 Nov, 2018 4 commits
- add drugbank model code and import command · 41fa613a
  Hervé MENAGER authored Nov 19, 2018
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see #96 and #113


Former-commit-id: 18ff7229eb1ae0c806a4da4bc49c64b6a1bde99e
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  41fa613a
- remove MDDR-related models and references · d17fb125
  Hervé MENAGER authored Nov 19, 2018
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see #96


Former-commit-id: 90abafc4f53301e38e9fac6171416587aba94288
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  d17fb125
- remove unused "biblio" templates · 370a259f
  Hervé MENAGER authored Nov 19, 2018
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Former-commit-id: cb77e25a11f95282320971b9fb61c358b4aaca91
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  370a259f
- remove MDDR phase from compounds list · 4cf22dca
  Hervé MENAGER authored Nov 19, 2018
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because MDDR is not in iPPI-DB anymore (see #96)


Former-commit-id: e68c8dfcff2dcdea8a76689fed23416a93216b85
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  4cf22dca