diff --git a/pkgs/development/python-modules/rmsd/default.nix b/pkgs/development/python-modules/rmsd/default.nix
new file mode 100644
index 000000000000..2a0f2ecb50b2
--- /dev/null
+++ b/pkgs/development/python-modules/rmsd/default.nix
@@ -0,0 +1,27 @@
+{ buildPythonPackage
+, lib
+, fetchPypi
+, scipy
+}:
+
+buildPythonPackage rec {
+  pname = "rmsd";
+  version = "1.5.1";
+
+  propagatedBuildInputs = [ scipy ];
+
+  src = fetchPypi {
+    inherit pname version;
+    hash = "sha256-wDQoIUMqrBDpgImHeHWizYu/YkFjlxB22TaGpA8Q0Sc=";
+  };
+
+  pythonImportsCheck = [ "rmsd" ];
+
+  meta = with lib; {
+    description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates";
+    homepage = "https://github.com/charnley/rmsd";
+    license = licenses.bsd2;
+    platforms = platforms.linux;
+    maintainers = with maintainers; [ sheepforce markuskowa ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index 2464a4d153b4..1ab7087ba63e 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -10067,6 +10067,8 @@ self: super: with self; {
 
   rmrl = callPackage ../development/python-modules/rmrl { };
 
+  rmsd = callPackage ../development/python-modules/rmsd { };
+
   rnc2rng = callPackage ../development/python-modules/rnc2rng { };
 
   rnginline = callPackage ../development/python-modules/rnginline { };