Default Branch

53470827a4 · Switch repeat id assignment from leg to repeat in AFE Protocols (#1948) · Updated 2026-05-22 00:50:48 +08:00

Branches

7ef93782e1 · temporarily add pkg_resources as dep · Updated 2026-02-10 23:53:10 +08:00    pub_soft

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46faada929 · fix changelog links · Updated 2026-02-06 00:11:12 +08:00    pub_soft

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603405728a · update the ghostly application function · Updated 2026-02-05 00:32:31 +08:00    pub_soft

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eb24b73014 · add env flag · Updated 2026-02-04 08:39:44 +08:00    pub_soft

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85d4d41cec · add requires_package for pygraphviz · Updated 2026-02-04 08:14:13 +08:00    pub_soft

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cc2bcee6ad · pin to openmm 8.4 for rc release · Updated 2026-02-04 01:25:45 +08:00    pub_soft

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8e15a31c2a · address pydantic deprecation warnings · Updated 2026-01-29 08:13:28 +08:00    pub_soft

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39b3187f19 · bump example notebooks pin to 2026.01.26 · Updated 2026-01-27 01:42:18 +08:00    pub_soft

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7e833b8d05 · Merge branch 'main' into cli/refactor_quickrun_result · Updated 2026-01-22 07:14:29 +08:00    pub_soft

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e9c6f20c47 · update rbfe test mocking · Updated 2026-01-13 04:30:03 +08:00    pub_soft

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907cefd24f · openfe gather: add progress bar for loading JSONs (#1786) · Updated 2026-01-10 07:01:30 +08:00    pub_soft

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Included

04f8374a88 · copy barostat and boxvectors · Updated 2026-01-07 23:20:12 +08:00    pub_soft

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8735fa25e1 · Update charge_generation.py · Updated 2025-12-20 05:05:55 +08:00    pub_soft

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eefd61ff0c · fix conda forge cp · Updated 2025-12-17 08:45:18 +08:00    pub_soft

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738265c6fe · point to atravitz fork · Updated 2025-12-09 06:46:17 +08:00    pub_soft

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617f6e4b2c · remove extra file · Updated 2025-12-05 12:06:13 +08:00    pub_soft

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01a981a95b · Add CMAPTorsionForce support (#1695) · Updated 2025-12-04 04:58:46 +08:00    pub_soft

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2376a5d5ff · Merge branch 'main' into conda_lock_pin_cuda · Updated 2025-11-26 00:33:47 +08:00    pub_soft

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253a1a333e · introduce FEMap · Updated 2025-11-20 03:03:43 +08:00    pub_soft

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8780ddcf4d · add TODOs · Updated 2025-11-12 08:12:41 +08:00    pub_soft

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