pub_soft/openfe
3
0
Fork 0
mirror of https://github.com/OpenFreeEnergy/openfe.git synced 2026-06-04 06:08:09 +08:00
Code Issues Packages Projects Releases Wiki Activity
3,428 Commits 149 Branches 46 Tags

Default Branch

main

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

Branches

structural_analysis_septop

d1e3abe9d0 · Update env · Updated 2026-06-02 18:15:58 +08:00
0
14
 ZIP  TAR.GZ
membrane_charge_change

4f4f1a5a1e · Merge branch 'membrane_charge_change' of https://github.com/OpenFreeEnergy/openfe into membrane_charge_change · Updated 2026-06-01 16:18:24 +08:00
0
8
 ZIP  TAR.GZ
maint/test_pint_0.25

e95adef8de · DNM: testing pint · Updated 2026-05-30 07:20:33 +08:00
0
1
 ZIP  TAR.GZ
add/contributing

18f2c72392 · Merge branch 'main' into add/contributing · Updated 2026-05-28 23:14:26 +08:00
0
7
 ZIP  TAR.GZ
maint/remove_element_change_warning

9facb94274 · add news item · Updated 2026-05-22 23:38:07 +08:00
0
6
 ZIP  TAR.GZ
htf_speed

b32a57568f · Merge branch 'main' into htf_speed · Updated 2026-05-19 18:50:33 +08:00
1
12
 ZIP  TAR.GZ
release/v1.11.0

311d821186 · update example notebooks pin · Updated 2026-05-02 03:39:08 +08:00
7
8
 ZIP  TAR.GZ
update_authors

18a6f0ae1a · update version · Updated 2026-04-18 00:21:19 +08:00
21
2
 ZIP  TAR.GZ
remove_perses

ed1a016b3d · Merge branch 'main' into remove_perses · Updated 2026-04-17 22:52:54 +08:00
20
2
 ZIP  TAR.GZ
septop-resume

dd2ee4bbd2 · Simplify how to install correct cuda-version (#1910) · Updated 2026-04-02 01:27:26 +08:00
29
0
 Included
 ZIP  TAR.GZ
feat/warehouse

70c62d014e · Merge branch 'main' into feat/warehouse · Updated 2026-03-06 05:58:18 +08:00    pub_soft

49
12
 ZIP  TAR.GZ
dummy_context_septop

7fb793c7f5 · First go at dummy context cache · Updated 2026-03-05 21:51:23 +08:00    pub_soft

49
1
 ZIP  TAR.GZ
fix/ligand_network_names_dropped

230ba2f1e7 · add pickleoptions setting · Updated 2026-03-05 05:44:48 +08:00    pub_soft

49
2
 ZIP  TAR.GZ
fix_zenodo_link

44b3c62da2 · fix zenodo url · Updated 2026-02-27 08:17:34 +08:00    pub_soft

52
1
 ZIP  TAR.GZ
ci/fix_espaloma_bug

f506841c22 · run contraint pytorch to fix espaloma ci bug · Updated 2026-02-18 09:40:24 +08:00    pub_soft

52
1
 ZIP  TAR.GZ
catch_logging_import_error

e9a69c2e61 · Merge branch 'main' into catch_logging_import_error · Updated 2026-02-16 23:06:24 +08:00    pub_soft

56
2
 ZIP  TAR.GZ
resume_htop_playground

89d1948894 · fix api break test (#1844) · Updated 2026-02-13 07:58:01 +08:00    pub_soft

56
0
 Included
 ZIP  TAR.GZ
test/pymbar-with-numba

545fd33ba4 · Merge remote-tracking branch 'origin/main' into test/pymbar-with-numba · Updated 2026-02-13 06:57:43 +08:00    pub_soft

57
2
 ZIP  TAR.GZ
stable

ad07917131 · Release/v1.9.0 (#1835) · Updated 2026-02-12 02:21:55 +08:00    pub_soft

57
0
 Included
 ZIP  TAR.GZ
tmp_test_v1.8.1_with_gufe_1.8.0

46e16e55ff · DNM: test openfe 1.8.1 with gufe 1.8.0 · Updated 2026-02-12 02:21:26 +08:00    pub_soft

105
20
 ZIP  TAR.GZ