github.com/OpenMS/pyopenms-docs commits | Ecosyste.ms: OpenCollective

Merge pull request #124 from rahul799/feat/pandocconversion

Feat/pandocconversion

e4cbd64d107020f8b3cc42ef8ec55a618a0c2c0c authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FIX] layout (#125)

e40d9d20e6dfa08fa0b21561084908e581391190 authored over 3 years ago by Oliver Alka <[email protected]>

fix lint issues

89f18092a68c2e11c99226483f9dddc40a565269 authored over 3 years ago by Rahul Agrawal <[email protected]>

Update theoreticalspectrumgenerator.rst

000df9f527424790af10685032edbb52cd778a2d authored over 3 years ago by Timo Sachsenberg <[email protected]>

add annotated ions example

3f7894536559d9431a5e11e88ae7e7a932f03b3b authored over 3 years ago by Timo Sachsenberg <[email protected]>

lint

4fb88ff0cc783eafbc95ea19f7ddf5e8329f05a2 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

lint

cde91d38ba0ce9ffe233e8a705100f7c838652cb authored over 3 years ago by Julianus Pfeuffer <[email protected]>

added filter for converting links

f9c42a0191f5b45795763a04f48348d41a26ade7 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

added example for wrong links

67631c140a09f36c871f256ee85a64afae33c6d5 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

linting

7e9a01084e07fa9f146879c5fee6a7b311d6ac73 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

linting

74adc4f74c8d21f4b3269b6dc02b7c576860861e authored over 3 years ago by Julianus Pfeuffer <[email protected]>

linting, add ignore functionality for images, test on one binder image

de7acb4caa853e31cbe2010b25952c915454a573 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Added pandoc filters for a conversion with plain pandoc

91182732cb0f18848ea046509d73040b4e9f91ac authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #121 from oliveralka/fix/tic

[FIX] TIC in getting started

9a877434abd3de847806b5ffd6317f2096e93784 authored over 3 years ago by Oliver Alka <[email protected]>

Merge pull request #118 from oliveralka/fix/positioning

[FIX] Subsection positioning

c6d32cf20670bacc62a172deda13d22218a8d0be authored over 3 years ago by Oliver Alka <[email protected]>

[FIX] explanation

0786a19868e7084df80d0e12dc2fcff91561ee2d authored over 3 years ago by oliveralka <[email protected]>

[FIX] total ion current chromatogram

bcce8d3cda903397bfeb35af2abe323e55ff7f7e authored over 3 years ago by oliveralka <[email protected]>

[ADD] Example for parsing modification AASequence (#116)

* add mod

* [FIX] Docu

9ae6761be0a6e109b1c6f3968f1d53e072ac15d0 authored over 3 years ago by Oliver Alka <[email protected]>

[ADD] Example files to repository (#117)

* add files to repo

* [FIX] typo

bd4a1a0bc77a350d3909214bd211ef1bb4a66850 authored over 3 years ago by Oliver Alka <[email protected]>

restructure

f85699542a492686cc440409075d4bcd763a88df authored over 3 years ago by oliveralka <[email protected]>

[FIX] TIC

f03ffa67cd120af286bac003f35d958827966f8f authored over 3 years ago by oliveralka <[email protected]>

[FIX] typo

5922d167b5f2ffc50569fe9835527b488ddd011a authored over 3 years ago by oliveralka <[email protected]>

[FIX] chrom plot

89c3a42e95e6987de046853db267163e0feaba3b authored over 3 years ago by oliveralka <[email protected]>

[FIX] small sphinx fixes

549eab959bceb4b7ee4f4a43ce6fb3ecf40d729a authored over 3 years ago by oliveralka <[email protected]>

[FIX] add to advanced

252ef6e1a80a86e1a3d3aff5bdf49e7f3ff0617b authored over 3 years ago by oliveralka <[email protected]>

[FIX] subsection positioning

5c2d46c64bee984983402819e28cf674e49999f4 authored over 3 years ago by oliveralka <[email protected]>

Update theoreticalspectrumgenerator.rst

74e2b3fed37f9a23522e12a769bc3c4a5a4918cd authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update datastructures.rst

cceba6081e4e9fbf61a9f89490d5525fdc5131aa authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update getting_started.rst

64bfc253c49329812ce7f86f7207fe0fcbff0f6f authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update getting_started.rst

08f29427406db5ec6cf5c05e5bf4deeba36ad427 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update getting_started.rst

aee92801e0368019229c0f59a1b085ac0419123d authored over 3 years ago by Timo Sachsenberg <[email protected]>

There has to be a newline after code-block

fca8e16889fe3f0c736920abc38945c7ec8e7370 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Use other codeblock language. Wont display on GitHub since they are broken for 5 years

wow... https://github.com/github/markup/issues/914

781d401330fb9e2925a8e1938105a14d74cf1eab authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #110 from OpenMS/jpfeuffer-patch-2

Update file paths and try newline for literal env

555ca321f429a90d857cc218f576595e38e059b8 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

try to fix heading

7ccf40915af4368fe6105ca338310830eb011435 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update file paths and try newline for literal env

8894dd4c58c052228ee1425463e9f4ee1f2fed19 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update aasequences.rst

95985ec8874d68848e051576fd4b2c05a44bee87 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update aasequences.rst

4b51d296732819d02e86e2fdf3851b7b4295df6e authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update aasequences.rst

9a8c6590021e1f44c6c530b74ae4f38d714fe3dc authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update chemistry.rst

a0c9c2662ea64b670265cbd87ae4bb928278f81c authored over 3 years ago by Timo Sachsenberg <[email protected]>

update to 2.7.0

874b5093b6aeb69f2c331449bf97ac33bf59923c authored over 3 years ago by Samuel Wein <[email protected]>

Update theoreticalspectrumgenerator.rst

ecbd7b0458c5e0c810b8cb8f2449a1cbf3f52fd5 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Add files via upload

b60c9609f428068cc4a2b0866f211e38300e87dd authored over 3 years ago by Timo Sachsenberg <[email protected]>

Add files via upload

1640a5776e9c8b62139e4cac6691db76a8bfbf7c authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update theoreticalspectrumgenerator.rst

ee51ccb2a517d18e9cfdcce446513bced9cd8c1b authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update theoreticalspectrumgenerator.rst

1a9fc6bc6e65a035613f4e2f038ff1efd290f9e9 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update theoreticalspectrumgenerator.rst

44fc1973a2cc0aef9479bbfc21bb0c8d6da38847 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update aasequences.rst

b5d02dbc9a4db8c46a11e4c3e69264eab6ae04a7 authored over 3 years ago by Timo Sachsenberg <[email protected]>

extended peptides chapter

08ee4afe76a774f27ecef14412d49505f982e5f2 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update aasequences.rst

e542f2db7daa9a1b0baa9d2425f6f7814beb8db5 authored over 3 years ago by Timo Sachsenberg <[email protected]>

rename

3a67aea983136b73761360cd865eb8eccfa743cc authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update aasequences.rst

32399f0878b0cbd92f2aba896f353f25938b8334 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Add files via upload

7e8c13c67d384ec0b550eec40bc73efc4e00322a authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update aasequences.rst

8da1f06b47910cffe293f155729082c1ac31ca49 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update requirements.txt

a9f40a7c855ca9950294cd1fc9f084f4450a1f84 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #106 from OpenMS/jpfeuffer-patch-1

Fix peptide search. Use larger data. Add inference.

7d0d21bf8d9ea55b6c578d807a5b46988b292e66 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

update number

d06c6ae254e1340b073ad8f0064e2b6c5200d5c1 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

try other variant

3414a73c7a0785e45b1434332e564dc9f3024882 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

use literal env instead of code block for outputs!

0afea48648876e82cb179c2c84409e81fed238ab authored over 3 years ago by Julianus Pfeuffer <[email protected]>

highlight

64308b89da3fa900d5106e10c57f0432a0387d7b authored over 3 years ago by Julianus Pfeuffer <[email protected]>

update references to new files in data folder

461ea2dfb58ea521b877a715ffee20f737196c25 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

add a bit realistic data

3bcb522725488ca97b6d9288e5c6693d61fb4f75 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Fix peptide search. Use larger data. Add inference.

eb6faeff6f4956833e36a01969190e0dede5f7c8 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[ADD] set/get scan polarity from MSSpectrum (#105)

ac5bb07f5b49ad1a3fef6bcdd909bcc97ae8248c authored over 3 years ago by Oliver Alka <[email protected]>

Update theoreticalspectrumgenerator.rst

38680993f1601f9fc0eb2e3e6963d5860ac5a6cd authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update theoreticalspectrumgenerator.rst

3c944aa455066793e4e684e9bf5642c2832b6590 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #101 from rahul799/master

Merging Workflows

6cddb807127f094b5090b036773662f3d26bc1f3 authored over 3 years ago by Oliver Alka <[email protected]>

Merge pull request #102 from OpenMS/fix/cctor

[FIX] copy constructor

57d78171edb6cdb08b3fc1df10658aa8529c08f8 authored over 3 years ago by Oliver Alka <[email protected]>

Update wrap_classes.rst

67d70f042c43931c8374032458d6709fe5ad174e authored over 3 years ago by Timo Sachsenberg <[email protected]>

[FIX] copy constructor

dc9782385cc21ecaf06a6f33aca0653ec9594995 authored over 3 years ago by oliveralka <[email protected]>

Merge pull request #1 from rahul799/merge-workflows

Merge workflows

4d70c14a37707f7e499b2e72a7e2be9f830c8171 authored over 3 years ago by Rahul Agrawal <[email protected]>

remote Generating Jupyter Notebooks workflow

b1924ec3431856d3d9751d96d0449c85d7f0325f authored over 3 years ago by Rahul Agrawal <[email protected]>

changes-added

582def2dafb606742c2e0489535a03a76dccf366 authored over 3 years ago by Rahul Agrawal <[email protected]>

Update requirements.txt

d9b30bbf546723c91407d8e7ec09d8d0d05afcf8 authored over 3 years ago by axelwalter <[email protected]>

Update mzqc_export.rst

802949370548a7aafcf152420c31b201ce71cca6 authored over 3 years ago by axelwalter <[email protected]>

Update mzqc_export.rst

1cd014ab7105a24c2307edead7b9fe3a53c5c073 authored over 3 years ago by axelwalter <[email protected]>

Merge pull request #99 from OpenMS/feature/mzqc-export

add mzqc export example

2a28d9984cb9b6b7bcd057c987eb8a5ded25f318 authored over 3 years ago by axelwalter <[email protected]>

add mzqc export example

f4aaaa3e982197e3633175a482a63bccb56cb4c1 authored over 3 years ago by axelwalter <[email protected]>

Update peptide_search.rst

ffeac84ec056040c80f483e2201fd8e62bd693e8 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Update index.rst

a5f3d4b0ff208539d1da3f8a475a9a255f1f81dc authored over 3 years ago by Timo Sachsenberg <[email protected]>

Create normalization.rst

f2a3864dfd4bb72f38a58e86e3e00ecee509f512 authored over 3 years ago by Timo Sachsenberg <[email protected]>

forgot rename of getTIC to calculateTIC

0f5c7c8f6bad5e58cd9559755b2e144f8bf97af1 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #98 from rahul799/master

Removing the postBuild

8ffbbe957c6cd8e3e5f537b955f003d4a93895b5 authored over 3 years ago by Oliver Alka <[email protected]>

Create requirements.txt

c0deb69e23e9f1467c33d2d507e84051c0586371 authored over 3 years ago by Rahul Agrawal <[email protected]>

Delete postBuild

f7116a984d6ac276354b4b1abe836ef91d9cdfaa authored over 3 years ago by Rahul Agrawal <[email protected]>

Merge pull request #97 from rahul799/master

Temporary fix for files getting overwritten due to force push

fdf0fbd94834013f18bbf0e03fc4aff8d3fa526e authored over 3 years ago by Oliver Alka <[email protected]>

Update build-openms.yaml

5ead8073e46b0a638d66778761668eac92721d78 authored over 3 years ago by Rahul Agrawal <[email protected]>

Update build-openms.yaml

6e09dfc6a4e2dc958540a7405de7ebdc60e847b7 authored over 3 years ago by Rahul Agrawal <[email protected]>

Update Build_Jupyter_Notebooks.yml

a755124485e0d2bd1fa3dd85922b0031ace263df authored over 3 years ago by Rahul Agrawal <[email protected]>

test

bb0eea38dde1561e90855d4a65907ed54f1842f6 authored over 3 years ago by Rahul Agrawal <[email protected]>

Update build-openms.yaml

1822301622ccda7298478fc1c854f236ed2b09bf authored over 3 years ago by Rahul Agrawal <[email protected]>

Merge pull request #96 from rahul799/fix-typos

Remove force push

82de257af5b03fe3e881e30170047f83aa9ee6e4 authored over 3 years ago by Oliver Alka <[email protected]>

removed trailing spaces in line 88

eaf526727c56f4565df4c983bf3f3a9180a684c2 authored over 3 years ago by Rahul Agrawal <[email protected]>

removing force push

f2bda74b16ad57be809fc0f2bdd3a32275d59941 authored over 3 years ago by Rahul Agrawal <[email protected]>

remove force push

ebb68949782e672575635b0b7cfa2c122dbb228f authored over 3 years ago by Rahul Agrawal <[email protected]>

Merge branch 'OpenMS:master' into master

696441adfea82dd9c3b9530c0a1d22f1289308b8 authored over 3 years ago by Rahul Agrawal <[email protected]>

Added latest pyopenMS build action (#95)

* Create build-openms.yaml

* Create postBuild

* Update build-openms.yaml

9d45d5ca1f7b2acc92132a50458c6db605d711a2 authored over 3 years ago by Rahul Agrawal <[email protected]>

Update build-openms.yaml

0500789f692a89270897615d0fa16a3a157eea99 authored over 3 years ago by Rahul Agrawal <[email protected]>

Create postBuild

3b4d47eb76a5113b4c1918d4f050bf7e3b3e4375 authored over 3 years ago by Rahul Agrawal <[email protected]>

Create build-openms.yaml

32434494735c1d78184692157bb3f93fa5f1ba68 authored over 3 years ago by Rahul Agrawal <[email protected]>