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Pull requests: openforcefield/openff-toolkit

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Pull requests list

Add ForceField.combine
#1996 opened Jan 14, 2025 by mattwthompson Loading…
2 of 5 tasks
1
2
Test against Pint 0.24.4
#1990 opened Jan 2, 2025 by mattwthompson • Draft
1
[DNM] Allow "experimental-auto" idivf
#1823 opened Feb 7, 2024 by mattwthompson • Draft
5 tasks
2
Use pytest 8 in CI
#1822 opened Feb 5, 2024 by mattwthompson Loading…
5 tasks
@mattwthompson
8
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
Do not allow unique_molecules=None when required
#1742 opened Oct 13, 2023 by mattwthompson Loading…
7 tasks done
1
1
ProTip! Updated in the last three days: updated:>2025-01-13.