File tree Expand file tree Collapse file tree 2 files changed +26
-28
lines changed Expand file tree Collapse file tree 2 files changed +26
-28
lines changed Original file line number Diff line number Diff line change @@ -4,6 +4,32 @@ Datamol Changelogs
44
55.. current developments
66
7+ v0.3.9
8+ ====================
9+
10+ **Added: **
11+
12+ * Add a sanitize flag to `from_df `.
13+ * Automatically detect the mol column in `from_df `.
14+ * Add `add_hs ` arg to `sanitize_mol `.
15+
16+ **Changed: **
17+
18+ * Allow input a single molecule to `dm.to_sdf ` instead of a list of mol.
19+ * Preserve mol properties and the frist conformer in `dm.sanitize_mol `.
20+ * Display a warning message when input mol has multiple conformers in `dm.sanitize_mol `.
21+
22+ **Fixed: **
23+
24+ * Remove call to `sanitize_mol ` in `read_sdf `, instead use `sanitize=True ` from RDKit.
25+ * Remove the `mol ` column from the mol properties in `from_df `. It also fixes `to_sdf `.
26+
27+ **Authors: **
28+
29+ * Hadrien Mary
30+
31+
32+
733v0.3.8
834====================
935
Load Diff This file was deleted.
You can’t perform that action at this time.
0 commit comments