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Changes needed to support execution via alchemiscale-fah
Formatting - black #604: Pull request #218 synchronize by dotsdl
July 9, 2024 15:31 14s alchemiscale-fah
July 9, 2024 15:31 14s
Use pydantic > 1
Formatting - black #603: Pull request #192 synchronize by dotsdl
July 3, 2024 01:53 16s pydantic-2
July 3, 2024 01:53 16s
Fix to docker deployment given structure of repo
Formatting - black #602: Commit 9386907 pushed by dotsdl
June 27, 2024 23:08 18s main
June 27, 2024 23:08 18s
Small fix to Dockerfile for alchemiscale-compute build
Formatting - black #601: Commit 009545e pushed by dotsdl
June 26, 2024 00:11 2m 10s main
June 26, 2024 00:11 2m 10s
Changes needed to support execution via alchemiscale-fah
Formatting - black #600: Pull request #218 synchronize by dotsdl
June 13, 2024 15:15 16s alchemiscale-fah
June 13, 2024 15:15 16s
Use pydantic > 1
Formatting - black #599: Pull request #192 synchronize by mattwthompson
June 11, 2024 14:43 14s pydantic-2
June 11, 2024 14:43 14s
Drop Python 3.9, add Python 3.11 to CI testing
Formatting - black #598: Pull request #252 synchronize by mattwthompson
June 11, 2024 14:40 18s py-3.11
June 11, 2024 14:40 18s
Merge pull request #276 from openforcefield/bugfix/settings_json_deco…
Formatting - black #597: Commit 4f2a226 pushed by dotsdl
June 5, 2024 01:09 14s main
June 5, 2024 01:09 14s
Merge pull request #272 from openforcefield/docs-operation_fix
Formatting - black #595: Commit e6a64e4 pushed by dotsdl
June 5, 2024 00:36 12s main
June 5, 2024 00:36 12s
Merge pull request #275 from openforcefield/fix-regex_query_nullfield
Formatting - black #594: Commit e393b60 pushed by dotsdl
June 5, 2024 00:35 20s main
June 5, 2024 00:35 20s
Reverting prod envs to use current alchemiscale release pins
Formatting - black #593: Commit 9365cdd pushed by dotsdl
June 5, 2024 00:35 32s main
June 5, 2024 00:35 32s
Update operations manual to address changes in Neo4j database management
Formatting - black #591: Pull request #272 synchronize by dotsdl
June 4, 2024 23:49 4m 51s docs-operation_fix
June 4, 2024 23:49 4m 51s
Fix regular expression matching in query_networks
Formatting - black #590: Pull request #275 synchronize by dotsdl
June 4, 2024 23:48 1m 58s fix-regex_query_nullfield
June 4, 2024 23:48 1m 58s
Merge pull request #254 from openforcefield/test/openfe-gufe-1.0.0rc0
Formatting - black #589: Commit b7d67d5 pushed by dotsdl
June 4, 2024 23:48 12s main
June 4, 2024 23:48 12s
Update operations manual to address changes in Neo4j database management
Formatting - black #588: Pull request #272 synchronize by dotsdl
June 4, 2024 23:47 13s docs-operation_fix
June 4, 2024 23:47 13s
Test new openfe & gufe rc
Formatting - black #587: Pull request #254 synchronize by dotsdl
June 4, 2024 23:29 28s test/openfe-gufe-1.0.0rc0
June 4, 2024 23:29 28s
Changes needed to support execution via alchemiscale-fah
Formatting - black #586: Pull request #218 synchronize by dotsdl
May 31, 2024 05:11 15s alchemiscale-fah
May 31, 2024 05:11 15s
Changes needed to support execution via alchemiscale-fah
Formatting - black #584: Pull request #218 synchronize by dotsdl
May 30, 2024 17:50 17s alchemiscale-fah
May 30, 2024 17:50 17s
Add espaloma_charge and nagl
Formatting - black #581: Pull request #274 opened by mikemhenry
May 7, 2024 15:49 15s add_nagl_and_espaloma_charge
May 7, 2024 15:49 15s