Commits

Branch selector

main

User selector

All users

All time

Commit history

Commits on Sep 20, 2023

• Updated .github/workflows/lint-python.yml NO_JIRA

  ccdc-github-admin

  committed
  18eb3f3View commit details

  Copy full SHA for 18eb3f3

  Browse repository at this point

Commits on Sep 8, 2023

• Updated .github/workflows/lint-python.yml NO_JIRA

  ccdc-github-admin

  committed
  0cef078View commit details

  Copy full SHA for 0cef078

  Browse repository at this point

• Updated .github/workflows/lint-yaml.yml NO_JIRA

  ccdc-github-admin

  committed
  cbe8114View commit details

  Copy full SHA for cbe8114

  Browse repository at this point

• Updated .github/workflows/common_ccdc_status_checks.yml NO_JIRA

  ccdc-github-admin

  committed
  3603928View commit details

  Copy full SHA for 3603928

  Browse repository at this point

• Updated .github/workflows/lint-dockerfiles.yml NO_JIRA

  ccdc-github-admin

  committed
  edb02aeView commit details

  Copy full SHA for edb02ae

  Browse repository at this point

• Updated .github/workflows/lint-markdown.yml NO_JIRA

  ccdc-github-admin

  committed
  9e11728View commit details

  Copy full SHA for 9e11728

  Browse repository at this point

Commits on Jul 19, 2023

• Merge pull request #32 from fmontisci-ccdc/main

  Show description for 9d984f8
  Alex-AMC

  authored
  9d984f8View commit details

  Copy full SHA for 9d984f8

  Browse repository at this point

• Add folders 11 and 12 to Discovery Notebooks ReadMe.md (NO_JIRA)

  fabiomontisci

  committed
  879debcView commit details

  Copy full SHA for 879debc

  Browse repository at this point

• Add an ensemble docking notebook in the discovery folder

  fabiomontisci

  committed
  34bb2d3View commit details

  Copy full SHA for 34bb2d3

  Browse repository at this point

Commits on Jun 26, 2023

• Merge pull request #25 from ramayo223/main

  Show description for 5034f84
  sjackson-ccdc

  authored
  5034f84View commit details

  Copy full SHA for 5034f84

  Browse repository at this point

Commits on Jun 23, 2023

• Update ReadMe.md NO_JIRA

  Alex-AMC

  authored
  0ceff2fView commit details

  Copy full SHA for 0ceff2f

  Browse repository at this point

Commits on Jun 6, 2023

• added particle rugosity to scripts/ReadMe.md

  ramayo223

  committed
  a62547eView commit details

  Copy full SHA for a62547e

  Browse repository at this point

Commits on Jun 2, 2023

• complete Alex-AMC edits and suggestions

  ramayo223

  committed
  9248a45View commit details

  Copy full SHA for 9248a45

  Browse repository at this point

• Remove unused imports in scripts/particle_rugosity/particle_rugosity.py

  Show description for 3dbc9dc
  

  ramayo223

  and

  Alex-AMC

  authored
  3dbc9dcView commit details

  Copy full SHA for 3dbc9dc

  Browse repository at this point

Commits on Jun 1, 2023

• add particle_rugosity

  ramayo223

  committed
  aff2867View commit details

  Copy full SHA for aff2867

  Browse repository at this point

Commits on May 22, 2023

• Merge pull request #24 from ccdc-opensource/protein_demo

  Show description for bd950f0
  jasonccole

  authored
  bd950f0View commit details

  Copy full SHA for bd950f0

  Browse repository at this point

Commits on May 19, 2023

• Workbook for protein demos (NO_JIRA)

  jasonccole

  committed
  38fb5e2View commit details

  Copy full SHA for 38fb5e2

  Browse repository at this point

Commits on May 18, 2023

• Merge pull request #23 from ccdc-opensource/csd544_updates

  Show description for 9a69027
  jasonccole

  authored
  9a69027View commit details

  Copy full SHA for 9a69027

  Browse repository at this point

Commits on May 17, 2023

• Merge branch 'csd544_updates' of https://github.com/ccdc-opensource/csd-python-api-scripts into csd544_updates

  jasonccole

  committed
  7dccf04View commit details

  Copy full SHA for 7dccf04

  Browse repository at this point

• Just a little more (NO_JIRA)

  jasonccole

  committed
  49b0f98View commit details

  Copy full SHA for 49b0f98

  Browse repository at this point

• Update notebooks/ccdc_notebook_utilities/README.md (NO_JIRA)

  Show description for 8f695f2
  

  jasonccole

  and

  github-actions[bot]

  authored
  8f695f2View commit details

  Copy full SHA for 8f695f2

  Browse repository at this point

• More flakiness (NO_JIRA)

  jasonccole

  committed
  19f53e4View commit details

  Copy full SHA for 19f53e4

  Browse repository at this point

• And more fussiness (NO_JIRA)

  jasonccole

  committed
  9fd3cebView commit details

  Copy full SHA for 9fd3ceb

  Browse repository at this point

• Fix fussy flake8 errors (NO_JIRA)

  jasonccole

  committed
  7790f35View commit details

  Copy full SHA for 7790f35

  Browse repository at this point

• Apparently my code smells ... fixed unused variable (NO_JIRA)

  jasonccole

  committed
  6b322b6View commit details

  Copy full SHA for 6b322b6

  Browse repository at this point

• Update for CSD v544 and remove duplications (NO_JIRA)

  jasonccole

  committed
  a0df299View commit details

  Copy full SHA for a0df299

  Browse repository at this point

• Add some central utils to avoid duplications in notebooks (NO_JIRA)

  jasonccole

  committed
  d6a8fb9View commit details

  Copy full SHA for d6a8fb9

  Browse repository at this point

Commits on May 16, 2023

• Fix up for csd544 NO_JIRA

  jasonccole

  committed
  24f3249View commit details

  Copy full SHA for 24f3249

  Browse repository at this point

• Revert "Fix up notebooks for latest release NO_JIRA"

  Show description for da9c09b
  jasonccole

  committed
  da9c09bView commit details

  Copy full SHA for da9c09b

  Browse repository at this point

• Fix up notebooks for latest release NO_JIRA

  jasonccole

  committed
  1d506b6View commit details

  Copy full SHA for 1d506b6

  Browse repository at this point

Commits on May 3, 2023

• Merge pull request #22 from ccdc-opensource/mchbp_2023.1

  Show description for 941748d
  jstevens-ccdc

  authored
  941748dView commit details

  Copy full SHA for 941748d

  Browse repository at this point

• New directory layout multiple platforms NO_JIRA

  

  Joanna

  committed
  9c9bc66View commit details

  Copy full SHA for 9c9bc66

  Browse repository at this point

Commits on May 2, 2023

• Merge pull request #21 from ccdc-opensource/mchbp_2023.1

  Show description for d35fea4
  jstevens-ccdc

  authored
  d35fea4View commit details

  Copy full SHA for d35fea4

  Browse repository at this point

Commits on May 1, 2023

• Updated for CSD 2023.1 directory structure NO_JIRA

  

  Joanna

  committed
  6537ea4View commit details

  Copy full SHA for 6537ea4

  Browse repository at this point

Commits on Mar 24, 2023

• Updated .github/workflows/lint-markdown.yml NO_JIRA

  ccdc-github-admin

  committed
  f6a027eView commit details

  Copy full SHA for f6a027e

  Browse repository at this point