Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / SimonBoothroyd/absolv issues and pull requests

#72 - Update template

Pull Request - State: closed - Opened by SimonBoothroyd 4 months ago - 1 comment

#70 - openff.interchange should be a dependency

Issue - State: open - Opened by Clownshift 6 months ago - 1 comment

#69 - Add regression test analysis

Pull Request - State: closed - Opened by SimonBoothroyd about 1 year ago

#68 - Fix typos in README

Pull Request - State: closed - Opened by SimonBoothroyd about 1 year ago

#67 - Refactor to begin aligning with `femto`

Pull Request - State: closed - Opened by SimonBoothroyd about 1 year ago

#66 - Issues w/ tutorial NEQ run

Issue - State: closed - Opened by spadavec over 1 year ago - 1 comment

#65 - ani2x compatibility?

Issue - State: closed - Opened by spadavec over 1 year ago - 1 comment

#64 - Fix documentation rendering

Pull Request - State: closed - Opened by SimonBoothroyd about 2 years ago

#63 - Fix CI and update project structure

Pull Request - State: closed - Opened by SimonBoothroyd about 2 years ago

#62 - Bump actions/setup-python from 2.3.1 to 4.5.0

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

#62 - Bump actions/setup-python from 2.3.1 to 4.5.0

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

#61 - Bump actions/checkout from 2.4.0 to 3.3.0

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

#60 - Bump actions/setup-python from 2.3.1 to 4.4.0

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

#60 - Bump actions/setup-python from 2.3.1 to 4.4.0

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

#59 - Bump actions/checkout from 2.4.0 to 3.2.0

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

#59 - Bump actions/checkout from 2.4.0 to 3.2.0

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

#58 - Bump actions/setup-python from 2.3.1 to 4.3.1

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

#58 - Bump actions/setup-python from 2.3.1 to 4.3.1

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

#57 - Bump conda-incubator/setup-miniconda from 2.1.1 to 2.2.0

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

#56 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: closed - Opened by lgtm-com[bot] over 2 years ago

#56 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: closed - Opened by lgtm-com[bot] over 2 years ago

#55 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.4.1

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

#54 - Bump actions/setup-python from 2.3.1 to 4.3.0

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

#54 - Bump actions/setup-python from 2.3.1 to 4.3.0

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

#53 - Bump actions/checkout from 2.4.0 to 3.1.0

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

#53 - Bump actions/checkout from 2.4.0 to 3.1.0

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

#52 - Bump codecov/codecov-action from 2.1.0 to 3.1.1

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

#51 - Bump actions/setup-python from 2.3.1 to 4.2.0

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

#51 - Bump actions/setup-python from 2.3.1 to 4.2.0

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

#50 - Pymbar 4 compatibility

Issue - State: closed - Opened by jthorton over 2 years ago - 1 comment

#49 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.4.0

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

#48 - Bump actions/setup-python from 2.3.1 to 4.1.0

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

#48 - Bump actions/setup-python from 2.3.1 to 4.1.0

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

#47 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.4

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

#47 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.4

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

#46 - Bump actions/setup-python from 2.3.1 to 4.0.0

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

#46 - Bump actions/setup-python from 2.3.1 to 4.0.0

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

#45 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#45 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#44 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.2

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#44 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.2

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#43 - Bump actions/checkout from 2.4.0 to 3.0.2

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#43 - Bump actions/checkout from 2.4.0 to 3.0.2

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#42 - Bump codecov/codecov-action from 2.1.0 to 3.1.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#42 - Bump codecov/codecov-action from 2.1.0 to 3.1.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 1 comment
Labels: dependencies

#41 - Bump actions/checkout from 2.4.0 to 3.0.1

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#41 - Bump actions/checkout from 2.4.0 to 3.0.1

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#40 - Bump actions/setup-python from 2.3.1 to 3.1.2

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#40 - Bump actions/setup-python from 2.3.1 to 3.1.2

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#39 - Bump actions/checkout from 2.4.0 to 3.0.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#38 - Bump codecov/codecov-action from 2.1.0 to 3.0.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#38 - Bump codecov/codecov-action from 2.1.0 to 3.0.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#37 - Bump actions/setup-python from 2.3.1 to 3.1.1

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#36 - Bump codecov/codecov-action from 2.1.0 to 3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#36 - Bump codecov/codecov-action from 2.1.0 to 3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#35 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#35 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.3.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#34 - Bump actions/setup-python from 2.3.1 to 3.1.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#34 - Bump actions/setup-python from 2.3.1 to 3.1.0

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#33 - Bump actions/checkout from 2.4.0 to 3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#33 - Bump actions/checkout from 2.4.0 to 3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#32 - Bump actions/setup-python from 2.3.1 to 3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#32 - Bump actions/setup-python from 2.3.1 to 3

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago - 2 comments
Labels: dependencies

#31 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.5

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#31 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.5

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#30 - Bump actions/setup-python from 2.3.1 to 2.3.2

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#30 - Bump actions/setup-python from 2.3.1 to 2.3.2

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#29 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.3

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#28 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.2

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#28 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.2

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#27 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.0

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#27 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.2.0

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#26 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.1.9

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#26 - Bump JamesIves/github-pages-deploy-action from 4.1.8 to 4.1.9

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#25 - Enable replica exchange by default

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#25 - Enable replica exchange by default

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#24 - Add regression testing to docs

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment
Labels: documentation

#24 - Add regression testing to docs

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment
Labels: documentation

#23 - Replace lj custom bond force with non-periodic cutoff

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment
Labels: enhancement

#22 - Bump JamesIves/github-pages-deploy-action from 4.1.7 to 4.1.8

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#22 - Bump JamesIves/github-pages-deploy-action from 4.1.7 to 4.1.8

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#21 - Disable repex error target

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#20 - Add basic replica-exchange support

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#20 - Add basic replica-exchange support

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#19 - Add initial regression test suite

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#19 - Add initial regression test suite

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#18 - Add validators to `System` model

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment
Labels: enhancement

#17 - Add alchemical transformation docs and update examples

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#16 - Make delta G direction more clear

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment
Labels: enhancement

#16 - Make delta G direction more clear

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment
Labels: enhancement

#15 - Bump actions/setup-python from 2.2.2 to 2.3.1

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#15 - Bump actions/setup-python from 2.2.2 to 2.3.1

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#14 - Bump JamesIves/github-pages-deploy-action from 4.1.5 to 4.1.7

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#14 - Bump JamesIves/github-pages-deploy-action from 4.1.5 to 4.1.7

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 2 comments
Labels: dependencies

#13 - Clean-up documentation rendering

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#13 - Clean-up documentation rendering

Pull Request - State: closed - Opened by SimonBoothroyd about 3 years ago - 1 comment

#12 - Bump JamesIves/github-pages-deploy-action from 4.1.5 to 4.1.6

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago - 3 comments
Labels: dependencies

#11 - Bump actions/setup-python from 2.2.2 to 2.3.0

Pull Request - State: closed - Opened by dependabot[bot] over 3 years ago - 3 comments
Labels: dependencies

#10 - Add rough initial documentation

Pull Request - State: closed - Opened by SimonBoothroyd over 3 years ago - 1 comment