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Pull requests: OpenFreeEnergy/alchemiscale

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Pull requests list

Updated gufe and openfe versions in conda envs, added cuda-version > 12 to avoid pulling cudatoolkit
#360 opened Feb 14, 2025 by dotsdl Loading…
2
[DNM] Update to current type annotation syntax
#354 opened Jan 31, 2025 by ianmkenney • Draft Release 0.6.1 - incremental release
@ianmkenney
1
Use Pydantic v1 from v2 backdoor
#281 opened Jul 16, 2024 by mattwthompson • Draft
5
Add espaloma_charge and nagl
#274 opened May 7, 2024 by mikemhenry Loading…
1
install latest openfe and gufe as a canary to catch upstream changes
#204 opened Nov 20, 2023 by mikemhenry Loading…
5
[doc] docker compose plugin to newest version
#183 opened Sep 26, 2023 by mikemhenry • Draft
1
build and test all images, add apptainer
#170 opened Aug 23, 2023 by mikemhenry • Draft
2
bump to new version of sphinx
#169 opened Aug 22, 2023 by mikemhenry Loading…
7
[WIP] Adding TaskProvenance usage to compute execution and results
#114 opened Apr 4, 2023 by dotsdl Loading…
1
[WIP] Result path conversion and upload to object store
#104 opened Mar 24, 2023 by dotsdl Loading…
1
@dotsdl
1
ProTip! Follow long discussions with comments:>50.