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Pull requests: openforcefield/openff-toolkit

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Pull requests list

Throw error for "explicit" hydrogens that aren't in molecule graph
#1983 opened Dec 12, 2024 by jaclark5 Loading…
5 tasks done
6
Update examples
#1981 opened Dec 12, 2024 by mattwthompson • Draft
17
Update beta/RC workflow
#1976 opened Dec 9, 2024 by mattwthompson • Draft
5 tasks
Bump codecov/codecov-action from 4 to 5 external dependencies
#1966 opened Nov 14, 2024 by dependabot bot Loading…
2
Always getattr() in lazy import machinery
#1963 opened Nov 12, 2024 by Yoshanuikabundi Loading…
1 of 2 tasks
2
[DNM] Allow "experimental-auto" idivf
#1823 opened Feb 7, 2024 by mattwthompson • Draft
5 tasks
2
Allow pytest 8
#1822 opened Feb 5, 2024 by mattwthompson • Draft
5 tasks
3
Enumerate input molecule with stereoisomers
#1781 opened Nov 28, 2023 by mattwthompson • Draft
5 of 6 tasks
Enumerate input molecule with tautomers
#1780 opened Nov 28, 2023 by mattwthompson Loading…
5 tasks done
9
Visualize fixes
#1751 opened Oct 19, 2023 by Yoshanuikabundi Loading…
4 tasks done
11
Do not allow unique_molecules=None when required
#1742 opened Oct 13, 2023 by mattwthompson Loading…
7 tasks done
1
1
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