Commits

Branch selector

 master

User selector

pckroon

Datepicker

All time

Commit History

Commits on Feb 27, 2025

• Merge pull request #667 from marrink-lab/go-file-write-fix

  Show description for c3f654d
  pckroon

  authoredFeb 27, 2025
  c3f654d

  Copy full SHA for c3f654d

Commits on Feb 24, 2025

• Merge pull request #661 from marrink-lab/docs-sphinx-8.2.0-update

  Show description for 2c06dbf
  pckroon

  authoredFeb 24, 2025
  2c06dbf

  Copy full SHA for 2c06dbf

Commits on Feb 12, 2025

• Merge pull request #658 from marrink-lab/system-meta

  Show description for ac93f62
  pckroon

  authoredFeb 12, 2025
  ac93f62

  Copy full SHA for ac93f62

Commits on Feb 7, 2025

• Merge pull request #655 from marrink-lab/common_citations

  Show description for df2a554
  pckroon

  authoredFeb 7, 2025
  df2a554

  Copy full SHA for df2a554

Commits on Feb 4, 2025

• Add some rudimentary tests for systems

  pckroon

  committedFeb 4, 2025
  ea538b4

  Copy full SHA for ea538b4

• Move quotes to the data module

  pckroon

  committedFeb 4, 2025
  e7cffc9

  Copy full SHA for e7cffc9

• Move common citations out of force fields and create a new data submodule

  pckroon

  committedFeb 4, 2025
  ac29360

  Copy full SHA for ac29360

• Unentwine the citation parser from force fields a bit

  pckroon

  committedFeb 4, 2025
  4bec415

  Copy full SHA for 4bec415

Commits on Jan 31, 2025

• Cleanup tests

  pckroon

  committedJan 31, 2025
  458534d

  Copy full SHA for 458534d

• Systems with a given FF get the dummy FF. add_molecule extended to check FFs of incoming molecules

  pckroon

  committedJan 31, 2025
  2334ead

  Copy full SHA for 2334ead

• Add a dummy ff

  pckroon

  committedJan 31, 2025
  6d3c03e

  Copy full SHA for 6d3c03e

• Give force fields a __str__ and simple __eq__

  pckroon

  committedJan 31, 2025
  3c6bf78

  Copy full SHA for 3c6bf78

• Change vermouth citation for formatting

  pckroon

  committedJan 31, 2025
  31ab1cb

  Copy full SHA for 31ab1cb

• Add non-forcefield-specific citations to the root of the data directory

  Show description for b7f2ee0
  pckroon

  committedJan 31, 2025
  b7f2ee0

  Copy full SHA for b7f2ee0

Commits on Jan 30, 2025

• Merge pull request #653 from marrink-lab/fix-#652

  Show description for 5982e5b
  pckroon

  authoredJan 30, 2025
  5982e5b

  Copy full SHA for 5982e5b

• Merge branch 'master' into fix-#652

  pckroon

  authoredJan 30, 2025
  e6e892b

  Copy full SHA for e6e892b

• Merge pull request #649 from marrink-lab/fix_648

  Show description for f86d35d
  pckroon

  authoredJan 30, 2025
  f86d35d

  Copy full SHA for f86d35d

Commits on Jan 28, 2025

• Merge branch 'master' into fix_648

  pckroon

  authoredJan 28, 2025
  527d5e1

  Copy full SHA for 527d5e1

Commits on Jan 27, 2025

• Merge pull request #643 from marrink-lab/Go-contact-map

  Show description for cb761ba
  pckroon

  authoredJan 27, 2025
  cb761ba

  Copy full SHA for cb761ba

• Merge pull request #651 from marrink-lab/lipidations

  Show description for 06b486d
  pckroon

  authoredJan 27, 2025
  06b486d

  Copy full SHA for 06b486d

• Merge branch 'master' into lipidations

  pckroon

  authoredJan 27, 2025
  b1dc624

  Copy full SHA for b1dc624

Commits on Nov 21, 2024

• Merge pull request #637 from marrink-lab/go-topol-header-fix

  Show description for 1e7a168
  pckroon

  authoredNov 21, 2024
  1e7a168

  Copy full SHA for 1e7a168

Commits on Nov 19, 2024

• Merge pull request #635 from marrink-lab/martinize2_tutorials

  Show description for 778aa88
  pckroon

  authoredNov 19, 2024
  778aa88

  Copy full SHA for 778aa88

Commits on Nov 18, 2024

• Merge pull request #634 from marrink-lab/custom-molname

  Show description for 83409f1
  pckroon

  authoredNov 18, 2024
  83409f1

  Copy full SHA for 83409f1

Commits on Nov 15, 2024

• Merge branch 'master' into martinize2_tutorials

  pckroon

  authoredNov 15, 2024
  66daa25

  Copy full SHA for 66daa25

• Update required python version in readme

  pckroon

  committedNov 15, 2024
  640ad79

  Copy full SHA for 640ad79

Commits on Nov 13, 2024

• Merge pull request #629 from marrink-lab/pylint-update

  Show description for 8b30ada
  pckroon

  authoredNov 13, 2024
  8b30ada

  Copy full SHA for 8b30ada

Commits on Nov 4, 2024

• Some light linting

  pckroon

  committedNov 4, 2024
  88ae649

  Copy full SHA for 88ae649

• Add some sensible ignorables

  pckroon

  committedNov 4, 2024
  aa7b558

  Copy full SHA for aa7b558

• New default pylintrc

  pckroon

  committedNov 4, 2024
  30b7612

  Copy full SHA for 30b7612

Commits on Oct 29, 2024

• Merge pull request #625 from csbrasnett/cys-logging

  Show description for 8a0a91c
  pckroon

  authoredOct 29, 2024
  8a0a91c

  Copy full SHA for 8a0a91c

Commits on Oct 24, 2024

• Merge pull request #621 from csbrasnett/scfix-default-change

  Show description for 53c991d
  pckroon

  authoredOct 24, 2024
  53c991d

  Copy full SHA for 53c991d

Commits on Sep 6, 2024

• Merge pull request #611 from marrink-lab/deploy

  Show description for 5fb0154
  pckroon

  authoredSep 6, 2024
  5fb0154

  Copy full SHA for 5fb0154

• Add Py3.12 to the tests, remove py3.8

  pckroon

  committedSep 6, 2024
  8d69df6

  Copy full SHA for 8d69df6

• Fetch git history for versioning

  pckroon

  committedSep 6, 2024
  870a46b

  Copy full SHA for 870a46b

Pagination

Previous

Next