first commit

2025-09-22 20:06:39 +08:00
commit 8b3b8508b9
13 changed files with 7541 additions and 0 deletions
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -0,0 +1,15 @@
+[project]
+name = "mole-embedding-atlas"
+version = "0.1.0"
+description = "Add your description here"
+readme = "README.md"
+requires-python = ">=3.12"
+dependencies = [
+    "embedding-atlas",
+    "ipykernel",
+    "anywidget",
+    "notebook",
+    "rdkit",
+    "pandas",
+    "selfies==2.1.1",
+]