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Cache generate_conformers with hash_molecule_args_and_kwargs approach #251

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merged 3 commits into from
Mar 8, 2022
Merged

Cache generate_conformers with hash_molecule_args_and_kwargs approach #251

merged 3 commits into from
Mar 8, 2022

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mattwthompson
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This is a simpler approach than #248, as @j-wags pointed out.

@mattwthompson mattwthompson mentioned this pull request Mar 2, 2022
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j-wags
j-wags approved these changes Mar 7, 2022
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This looks good to me! Let's wait to merge #249 before we merge this, so that we can have the test matrix totally green when this goes in.

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#249 is merged and this should be good to go stand-alone, although there is now some cross-talk between this and #252

@mattwthompson mattwthompson marked this pull request as ready for review March 8, 2022 20:32
@j-wags j-wags merged commit 9f99464 into leeping:master Mar 8, 2022
@mattwthompson mattwthompson deleted the openff-toolkit-0.10.3-v2 branch March 8, 2022 21:31
@mattwthompson mattwthompson mentioned this pull request Mar 8, 2022
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nigel-palmer-cresset pushed a commit to cresset-group/forcebalance that referenced this pull request Mar 23, 2022
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Cache generate_conformers with hash_molecule_args_and_kwargs approach (…
943dfc5 
…leeping#251)

* Cache generate_conformers with hash_molecule_args_and_kwargs approach

* Ensure openff-toolkit 0.10.3 is installed
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@mattwthompson @j-wags