first add

pixi.toml

@@ -0,0 +1,24 @@
+[workspace]
+authors = ["hotwa <pylyzeng@gmail.com>"]
+channels = ["conda-forge"]
+name = "macro_split"
+platforms = ["linux-64"]
+version = "0.1.0"
+
+[tasks]
+
+[dependencies]
+rdkit = ">=2025.9.1,<2026"
+pandas = ">=2.3.3,<3"
+numpy = ">=2.3.4,<3"
+matplotlib = ">=3.10.7,<4"
+seaborn = ">=0.13.2,<0.14"
+jupyter = ">=1.1.1,<2"
+tqdm = ">=4.67.1,<5"
+mkdocs = ">=1.6.1,<2"
+mkdocs-material = ">=9.6.23,<10"
+mkdocstrings = ">=0.30.1,<0.31"
+mkdocstrings-python = ">=1.18.2,<2"
+
+[pypi-dependencies]
+dataclasses-json = ">=0.6.7, <0.7"