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Pull requests: openforcefield/yammbs

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Pull requests list

Force multiprocessing start method to "spawn"
#238 opened Mar 5, 2026 by mattwthompson Member • Draft
1
Feature openmm torsion restraints
#237 opened Mar 3, 2026 by fjclark Contributor Loading…
@mattwthompson
18
Add geomeTRIC as non-default minimization engine
#195 opened Nov 24, 2025 by fjclark Contributor Loading…
1
8
Add more torsion metrics
#191 opened Nov 21, 2025 by fjclark Contributor Loading… 0.3.1
1
@mattwthompson
14
Document creating MoleculeStore from QM SDF files
#177 opened Oct 27, 2025 by mattwthompson Member • Draft
1
2
Optionally include hydrogens in RMSDs
#143 opened May 20, 2025 by mattwthompson Member • Draft
1
@mattwthompson
9
Rewrite mapping InChI keys?
#135 opened Apr 22, 2025 by lilyminium Contributor • Draft
@mattwthompson
4
Have get_internal_coordinates operate on one conformer
#119 opened Apr 9, 2025 by mattwthompson Member • Draft
@mattwthompson
1
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