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Pull requests: openforcefield/qca-dataset-submission

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Pull requests list

Des370k monomer lowest energy conformer optimization tracking
#421 opened Jan 9, 2025 by amcisaac Loading…
8 of 9 tasks
6
Release sage 2.1.0 tracking
#420 opened Dec 20, 2024 by jaclark5 Loading…
9 tasks done
1
Release sage 2.0.0 torsion tracking
#419 opened Dec 18, 2024 by jaclark5 Loading…
9 tasks done
15
OpenFF Lipid Optimization Benchmark Supplement v1.0 tracking
#399 opened Oct 30, 2024 by ntBre Loading…
8 of 9 tasks
9
Switch over to full GraphQL test-ci
#377 opened Sep 11, 2024 by lilyminium • Draft
1
6
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