samplchallenges/SAMPL-league issues and pull requests

#456 - Bump rdkit from 2022.3.5 to 2022.9.5 in /app

Pull Request - State: open - Opened by dependabot[bot] over 1 year ago
Labels: dependencies, python

#455 - Bump pylint from 2.15.4 to 2.16.2 in /app

Pull Request - State: open - Opened by dependabot[bot] over 1 year ago
Labels: dependencies, python

#454 - Bump actions/cache from 3.0.2 to 3.2.6

Pull Request - State: open - Opened by dependabot[bot] over 1 year ago
Labels: dependencies, github_actions

#453 - Bump jupyterlab from 3.4.8 to 3.6.1 in /app

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies, python

#452 - Bump django from 4.1.2 to 4.1.7 in /app

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies, python

#451 - Bump actions/cache from 3.0.2 to 3.2.5

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, github_actions

#450 - Bump ipython from 8.5.0 to 8.10.0 in /app

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#449 - Bump cryptography from 38.0.1 to 39.0.1

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#448 - Bump django from 4.1.2 to 4.1.6 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#447 - Bump jupyterlab from 3.4.8 to 3.5.3 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#446 - Bump pylint from 2.15.4 to 2.15.10 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#445 - Bump actions/cache from 3.0.2 to 3.2.4

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, github_actions

#444 - Bump jupyterlab from 3.4.8 to 3.5.2 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#443 - Bump actions/cache from 3.0.2 to 3.2.3

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, github_actions

#442 - Bump pylint from 2.15.4 to 2.15.9 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#441 - Bump actions/cache from 3.0.2 to 3.2.2

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, github_actions

#440 - Bump setuptools from 65.5.0 to 65.5.1 in /app

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#439 - Bump actions/cache from 3.0.2 to 3.2.1

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, github_actions

#438 - Bump rdkit from 2022.3.5 to 2022.9.3 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#437 - Bump certifi from 2022.9.24 to 2022.12.7 in /app

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#436 - Bump certifi from 2022.9.24 to 2022.12.7 in /ever_given

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#435 - Bump certifi from 2021.5.30 to 2022.12.7 in /container-docs

Pull Request - State: open - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies, python

#434 - Bump pylint from 2.15.4 to 2.15.8 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#433 - Bump jupyterlab from 3.4.8 to 3.5.1 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#432 - Bump rdkit from 2022.3.5 to 2022.9.2 in /app

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 2 comments
Labels: dependencies, python

#431 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: open - Opened by lgtm-com[bot] about 2 years ago

#430 - Bump pylint from 2.15.4 to 2.15.6 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#429 - Bump psycopg2-binary from 2.9.4 to 2.9.5 in /app

Pull Request - State: open - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#428 - Bump rdkit from 2022.3.5 to 2022.9.1 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#427 - Bump jupyterlab from 3.4.8 to 3.5.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#426 - Bump awscli from 1.25.93 to 1.25.97 in /app

Pull Request - State: open - Opened by dependabot[bot] about 2 years ago
Labels: dependencies, python

#425 - Bump pylint from 2.15.4 to 2.15.5 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#424 - fix path errors

Pull Request - State: closed - Opened by megosato about 2 years ago - 1 comment

#423 - Bump awscli from 1.25.93 to 1.25.94 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#422 - update dependencies and remove graph visualization

Pull Request - State: closed - Opened by megosato about 2 years ago - 1 comment

#421 - Bump awscli from 1.25.86 to 1.25.92 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#420 - Bump actions/cache from 3.0.2 to 3.0.11

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, github_actions

#419 - Bump psycopg2-binary from 2.9.3 to 2.9.4 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#418 - Bump awscli from 1.25.86 to 1.25.90 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#417 - Bump black from 22.8.0 to 22.10.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#416 - Bump django from 4.1.1 to 4.1.2 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#415 - Bump jupyterlab from 3.4.7 to 3.4.8 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#414 - Bump awscli from 1.25.79 to 1.25.86 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#413 - Bump mypy from 0.971 to 0.982 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#412 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: open - Opened by pre-commit-ci[bot] about 2 years ago - 1 comment

#411 - Bump awscli from 1.25.78 to 1.25.85 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#410 - Bump mypy from 0.971 to 0.981 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#409 - Bump pytest-cov from 3.0.0 to 4.0.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#408 - Bump actions/cache from 3.0.2 to 3.0.10

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, github_actions

#407 - Bump awscli from 1.25.78 to 1.25.81 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#406 - Bump django-debug-toolbar from 3.6.0 to 3.7.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#405 - Bump codecov/codecov-action from 3.0.0 to 3.1.1

Pull Request - State: open - Opened by dependabot[bot] about 2 years ago
Labels: dependencies, github_actions

#404 - Add tests for load_yaml

Pull Request - State: closed - Opened by robbason about 2 years ago - 4 comments

#403 - Bump awscli from 1.25.78 to 1.25.79 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#402 - Bump black from 22.6.0 to 22.8.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#401 - Bump jupyterlab from 3.4.5 to 3.4.7 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#400 - Bump pylint from 2.15.0 to 2.15.3 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#399 - Bump awscli from 1.25.61 to 1.25.78 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#398 - Bump awscli from 1.25.58 to 1.25.76 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#397 - Bump pylint from 2.14.5 to 2.15.2 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#396 - Bump awscli from 1.25.58 to 1.25.71 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#395 - Bump django from 4.1 to 4.1.1 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#394 - Bump awscli from 1.25.58 to 1.25.67 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#393 - Bump pytest from 7.1.2 to 7.1.3 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#392 - @megosato work merge squashed: add container pull before submission r…

Pull Request - State: closed - Opened by robbason about 2 years ago - 1 comment

#391 - Bump pylint from 2.14.5 to 2.15.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, python

#390 - Bump dask-jobqueue from 0.7.4 to 0.8.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#389 - Bump awscli from 1.25.58 to 1.25.62 in /app

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependencies, python

#388 - Bump awscli from 1.25.58 to 1.25.61 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#387 - Upgrade Django to 4.1

Pull Request - State: closed - Opened by robbason over 2 years ago - 1 comment

#386 - Batch scoring and allow outputs to attach to parent element

Pull Request - State: closed - Opened by robbason over 2 years ago - 4 comments

#385 - Bump django-debug-toolbar from 3.5.0 to 3.6.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 1 comment
Labels: dependencies, python

#384 - Bump docker from 5.0.3 to 6.0.0 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#383 - Bump awscli from 1.25.51 to 1.25.57 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#382 - Bump actions/cache from 3.0.2 to 3.0.8

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, github_actions

#381 - Bump actions/cache from 3.0.2 to 3.0.7

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, github_actions

#380 - update pipfilelock

Pull Request - State: closed - Opened by megosato over 2 years ago - 1 comment

#379 - update pipfile and fabfile

Pull Request - State: closed - Opened by megosato over 2 years ago

#378 - Bump django from 4.0.6 to 4.0.7 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#377 - Add container pull before submission run evaluation

Pull Request - State: closed - Opened by megosato over 2 years ago - 5 comments

#376 - Bump awscli from 1.25.27 to 1.25.46 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#375 - Bump actions/cache from 3.0.2 to 3.0.6

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, github_actions

#374 - Update batch name to be descriptive

Pull Request - State: closed - Opened by megosato over 2 years ago - 1 comment

#373 - email users when jobs start & when jobs finish

Issue - State: open - Opened by robbason over 2 years ago

#372 - Batching should handle outputs too

Issue - State: open - Opened by robbason over 2 years ago

#371 - Allow for overwriting scores, Add functionality to resubmit batch

Pull Request - State: closed - Opened by megosato over 2 years ago - 1 comment

#370 - Bump awscli from 1.25.27 to 1.25.42 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#369 - Cache singularity installation

Pull Request - State: closed - Opened by robbason over 2 years ago - 2 comments

#368 - Fix bug where was passing only last value for each score type in a batch

Pull Request - State: closed - Opened by robbason over 2 years ago - 2 comments

#367 - Bump mypy from 0.961 to 0.971 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#366 - Bump awscli from 1.25.27 to 1.25.36 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#365 - Bump jupyterlab from 3.4.3 to 3.4.4 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#364 - Bump dask-jobqueue from 0.7.3 to 0.7.4 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#363 - Bump awscli from 1.25.27 to 1.25.31 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#362 - Bump pylint from 2.14.4 to 2.14.5 in /app

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, python

#361 - Bump actions/cache from 3.0.2 to 3.0.5

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, github_actions

#357 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago - 1 comment

#337 - Bump actions/cache from 3.0.2 to 3.0.4

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, github_actions

#309 - Bump codecov/codecov-action from 3.0.0 to 3.1.0

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependencies, github_actions

#92 - multi-mode vs single mode

Issue - State: closed - Opened by robbason over 3 years ago - 2 comments

GitHub / samplchallenges/SAMPL-league issues and pull requests