diff --git a/docs/conf.py b/docs/conf.py
index e3c0b3d4c..a21d19d56 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -49,7 +49,7 @@
     "sphinx.ext.viewcode",
     "sphinx.ext.intersphinx",
     "numpydoc",
-    "m2r2",
+    "myst_parser",
     "sphinxarg.ext",
     "jupyterlite_sphinx",
 ]
diff --git a/pyproject.toml b/pyproject.toml
index 05a6e243b..4bf2e64b7 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -57,7 +57,7 @@ docs = [
     'recommonmark',
     'sphinx_rtd_theme>=1.0.0rc1',
     'numpydoc',
-    'm2r2',
+    'myst-parser',
     'deepmodeling-sphinx>=0.1.1',
     'sphinx-argparse<0.5.0',
     'rdkit',