File tree 1 file changed +39
-0
lines changed
1 file changed +39
-0
lines changed Original file line number Diff line number Diff line change @@ -8,6 +8,45 @@ This section lists features and improvements of note in each release.
8
8
9
9
The full release history can be viewed `at the GitHub perses releases page <https://github.com/choderalab/perses/releases >`_.
10
10
11
+ 0.10.3 - Release
12
+ ----------------
13
+
14
+ Bugfix release.
15
+
16
+
17
+ Enhancements
18
+ ^^^^^^^^^^^^
19
+
20
+ * Print perses version on startup by @mikemhenry in https://github.com/choderalab/perses/pull/1176
21
+ * Support pymbar 3 & 4 by @mikemhenry in https://github.com/choderalab/perses/pull/1173
22
+ * Store initial and final topologies for all phases -- small molecule pipeline by @ijpulidos in https://github.com/choderalab/perses/pull/1210
23
+
24
+ Documentation
25
+ ^^^^^^^^^^^^^
26
+
27
+ * Added MPI example with dipeptide mutation by @ijpulidos in https://github.com/choderalab/perses/pull/1228
28
+ * Update comments in ``RESTCapableHybridTopologyFactory `` doc string by @zhang-ivy in https://github.com/choderalab/perses/pull/1189
29
+ * Clean examples -- CLI protein-ligand example for Tyk2 by @ijpulidos in https://github.com/choderalab/perses/pull/1223
30
+
31
+ Bug Fixes
32
+ ^^^^^^^^^
33
+ * Fix spectator support by @ijpulidos in https://github.com/choderalab/perses/pull/1233
34
+ * Realtime analysis interval to default to checkpoint interval by @ijpulidos in https://github.com/choderalab/perses/pull/1227
35
+ * Correctly set cutoff for ``CustomNonbondedForce `` in ``HybridTopologyFactory `` when using a non-default cutoff distance. by @mikemhenry in
36
+ * Backport openfe fixes for context deletion by @mikemhenry in https://github.com/choderalab/perses/pull/1229
37
+
38
+ Testing/CI/Packaging
39
+ ^^^^^^^^^^^^^^^^^^^^
40
+
41
+ * Run CI on new 0.10.x branch by @mikemhenry in https://github.com/choderalab/perses/pull/1212
42
+ * Use python executable from env by @mikemhenry in https://github.com/choderalab/perses/pull/1174
43
+ * Remove example testing by @mikemhenry in https://github.com/choderalab/perses/pull/1214
44
+ * CI miscellaneous fixes by @ijpulidos in https://github.com/choderalab/perses/pull/1217
45
+ * Improve docker building by @mikemhenry in https://github.com/choderalab/perses/pull/1200
46
+
47
+
48
+ **Full Changelog **: https://github.com/choderalab/perses/compare/0.10.2...0.10.3
49
+
11
50
0.10.2 - Release
12
51
----------------
13
52
You can’t perform that action at this time.
0 commit comments