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Pull requests: openforcefield/openff-qcsubmit
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Task export for torsiondrive datasets
#224
opened Jul 24, 2023 by
jthorton
Contributor
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3 tasks
Expose trajectory protocol for optimization datasets
#194
opened Mar 9, 2022 by
dotsdl
Member
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2 tasks
Reparse TorsionIndexer if a new mol is returned from the TK
#99
opened Feb 4, 2021 by
trevorgokey
Contributor
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1 task done
add local optimization script
#67
opened Dec 4, 2020 by
trevorgokey
Contributor
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1 task done
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