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Pull requests: openforcefield/openff-interchange

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Pull requests list

Update tests with top_from_smiles
#26 by mattwthompson was merged Sep 30, 2020 Loading…
1
Fix GitHub Actions
#3 by mattwthompson was merged May 18, 2020 Loading…
1
Omnia beta
#5 by mattwthompson was closed May 21, 2020 Loading…
Add some utils and tests
#6 by mattwthompson was merged May 29, 2020 Loading…
3 tasks done
2
Prototype A
#7 by mattwthompson was merged Jun 9, 2020 Loading…
1 of 3 tasks
2
Fix codecov
#8 by mattwthompson was merged May 29, 2020 Loading…
1
Typing abstraction
#9 by mattwthompson was merged Jun 9, 2020 Loading…
6 tasks
1
Parse SimTK units with get_name instead of get_symbol
#11 by mattwthompson was merged Jun 5, 2020 Loading…
1
Update GitHub Actions script with miniconda and optional JAX install
#18 by mattwthompson was merged Jun 19, 2020 Loading…
2
Namespace migration
#21 by mattwthompson was merged Jun 29, 2020 Loading…
2
MAINT: Use mamba with miniconda action
#22 by mattwthompson was merged Jul 21, 2020 Loading…
2
Add Integration tests
#23 by mattwthompson was merged Oct 8, 2020 Loading…
1
GitHub Actions
#1 by mattwthompson was merged May 18, 2020 Loading…
3 tasks
Use OpenFF Toolkit 0.7.2
#24 by mattwthompson was merged Sep 30, 2020 Loading…
1
Draft of proposed spec
#29 by mattwthompson was closed Nov 8, 2021 Loading…
15
Component refactor
#30 by mattwthompson was merged Nov 3, 2020 Loading…
5 tasks
3
Foyer handlers
#36 by mattwthompson was closed Oct 29, 2020 Loading…
Foyer handlers
#37 by mattwthompson was closed Dec 16, 2020 Loading…
3
Fix codecov
#38 by mattwthompson was merged Nov 5, 2020 Loading…
1
Add autodiff-friendly matrix representations to PotentialHandler
#41 by mattwthompson was merged Nov 10, 2020 Loading…
1
Set up dependabot
#42 by mattwthompson was merged Nov 10, 2020 Loading…
1
Bump conda-incubator/setup-miniconda from v1 to v2 dependencies Pull requests that update a dependency file
#43 by dependabot bot was merged Nov 10, 2020 Loading…
1
Bump actions/setup-python from v1 to v2.1.4 dependencies Pull requests that update a dependency file
#44 by dependabot bot was merged Nov 10, 2020 Loading…
1
Update ParmEd converter for new components
#45 by mattwthompson was merged Nov 17, 2020 Loading…
2
Make Interchange.topology a required field
#995 by mattwthompson was merged Jun 21, 2024 Loading…
3 tasks
1
ProTip! Updated in the last three days: updated:>2024-07-02.