diff --git a/pkgs/development/python-modules/ax/default.nix b/pkgs/development/python-modules/ax/default.nix
new file mode 100644
index 000000000000..5f87602064bf
--- /dev/null
+++ b/pkgs/development/python-modules/ax/default.nix
@@ -0,0 +1,70 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, botorch
+, ipywidgets
+, jinja2
+, pandas
+, plotly
+, setuptools-scm
+, typeguard
+, hypothesis
+, mercurial
+, pyfakefs
+, pytestCheckHook
+, yappi
+}:
+
+buildPythonPackage rec {
+  pname = "ax";
+  version = "0.3.2";
+  format = "pyproject";
+
+  src = fetchFromGitHub {
+    owner = "facebook";
+    repo = pname;
+    rev = version;
+    hash = "sha256-1KLLjeUktXvIDOlTQzMmpbL/On8PTxZQ44Qi4BT3nPk=";
+  };
+
+  propagatedBuildInputs = [
+    botorch
+    ipywidgets
+    jinja2
+    pandas
+    plotly
+    setuptools-scm
+    typeguard
+  ];
+
+  SETUPTOOLS_SCM_PRETEND_VERSION = version;
+
+  checkInputs = [
+    hypothesis
+    mercurial
+    pyfakefs
+    pytestCheckHook
+    yappi
+  ];
+  pytestFlagsArray = [
+    "--ignore=ax/benchmark"
+    "--ignore=ax/runners/tests/test_torchx.py"
+    # requires pyre_extensions
+    "--ignore=ax/telemetry/tests"
+    "--ignore=ax/core/tests/test_utils.py"
+    "--ignore=ax/early_stopping/tests/test_strategies.py"
+    # broken with sqlalchemy 2
+    "--ignore=ax/service/tests/test_ax_client.py"
+    "--ignore=ax/service/tests/test_scheduler.py"
+    "--ignore=ax/service/tests/test_with_db_settings_base.py"
+    "--ignore=ax/storage"
+  ];
+  pythonImportsCheck = [ "ax" ];
+
+  meta = with lib; {
+    description = "Ax is an accessible, general-purpose platform for understanding, managing, deploying, and automating adaptive experiments";
+    homepage = "https://ax.dev/";
+    license = licenses.mit;
+    maintainers = with maintainers; [ veprbl ];
+  };
+}
diff --git a/pkgs/development/python-modules/botorch/default.nix b/pkgs/development/python-modules/botorch/default.nix
new file mode 100644
index 000000000000..ac31c7fdd9a1
--- /dev/null
+++ b/pkgs/development/python-modules/botorch/default.nix
@@ -0,0 +1,51 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, gpytorch
+, linear_operator
+, multipledispatch
+, pyro-ppl
+, setuptools-scm
+, torch
+, scipy
+, pytestCheckHook
+}:
+
+buildPythonPackage rec {
+  pname = "botorch";
+  version = "0.8.5";
+  format = "pyproject";
+
+  src = fetchFromGitHub {
+    owner = "pytorch";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-VcNHgfk8OfLJseQxHksycWuCPCudCtOdcRV0XnxHSfU=";
+  };
+
+  buildInputs = [
+    setuptools-scm
+  ];
+  propagatedBuildInputs = [
+    gpytorch
+    linear_operator
+    multipledispatch
+    pyro-ppl
+    scipy
+    torch
+  ];
+
+  SETUPTOOLS_SCM_PRETEND_VERSION = version;
+
+  checkInputs = [
+    pytestCheckHook
+  ];
+  pythonImportsCheck = [ "botorch" ];
+
+  meta = with lib; {
+    description = "Bayesian Optimization in PyTorch";
+    homepage = "https://botorch.org";
+    license = licenses.mit;
+    maintainers = with maintainers; [ veprbl ];
+  };
+}
diff --git a/pkgs/development/python-modules/gpytorch/default.nix b/pkgs/development/python-modules/gpytorch/default.nix
new file mode 100644
index 000000000000..f914bc326ba9
--- /dev/null
+++ b/pkgs/development/python-modules/gpytorch/default.nix
@@ -0,0 +1,51 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, linear_operator
+, scikit-learn
+, torch
+, pytestCheckHook
+}:
+
+buildPythonPackage rec {
+  pname = "gpytorch";
+  version = "1.10";
+  format = "pyproject";
+
+  src = fetchFromGitHub {
+    owner = "cornellius-gp";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-KY3ItkVjBfIYMkZAmD56EBGR9YN/MRN7b2K3zrK6Qmk=";
+  };
+
+  postPatch = ''
+    substituteInPlace setup.py \
+      --replace 'find_version("gpytorch", "version.py")' \"$version\"
+  '';
+
+  propagatedBuildInputs = [
+    linear_operator
+    scikit-learn
+    torch
+  ];
+
+  checkInputs = [
+    pytestCheckHook
+  ];
+  pythonImportsCheck = [ "gpytorch" ];
+  disabledTests = [
+    # AssertionError on number of warnings emitted
+    "test_deprecated_methods"
+    # flaky numerical tests
+    "test_classification_error"
+    "test_matmul_matrix_broadcast"
+  ];
+
+  meta = with lib; {
+    description = "A highly efficient and modular implementation of Gaussian Processes, with GPU acceleration";
+    homepage = "https://gpytorch.ai";
+    license = licenses.mit;
+    maintainers = with maintainers; [ veprbl ];
+  };
+}
diff --git a/pkgs/development/python-modules/linear_operator/default.nix b/pkgs/development/python-modules/linear_operator/default.nix
new file mode 100644
index 000000000000..48fb004c14c4
--- /dev/null
+++ b/pkgs/development/python-modules/linear_operator/default.nix
@@ -0,0 +1,46 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, scipy
+, torch
+, pytestCheckHook
+}:
+
+buildPythonPackage rec {
+  pname = "linear_operator";
+  version = "0.4.0";
+  format = "pyproject";
+
+  src = fetchFromGitHub {
+    owner = "cornellius-gp";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-0f3F3k3xJACbx42jtwsAmjZwPAOfLywZs8VOrwWicc4=";
+  };
+
+  postPatch = ''
+    substituteInPlace setup.py \
+      --replace 'find_version("linear_operator", "version.py")' \"$version\"
+  '';
+
+  propagatedBuildInputs = [
+    scipy
+    torch
+  ];
+
+  checkInputs = [
+    pytestCheckHook
+  ];
+  pythonImportsCheck = [ "linear_operator" ];
+  disabledTests = [
+    # flaky numerical tests
+    "test_svd"
+  ];
+
+  meta = with lib; {
+    description = "A LinearOperator implementation to wrap the numerical nuts and bolts of GPyTorch";
+    homepage = "https://github.com/cornellius-gp/linear_operator/";
+    license = licenses.mit;
+    maintainers = with maintainers; [ veprbl ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index bc5537343022..26b7aee601cb 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/pkgs/top-level/python-packages.nix
@@ -881,6 +881,8 @@ self: super: with self; {
 
   awswrangler = callPackage ../development/python-modules/awswrangler { };
 
+  ax = callPackage ../development/python-modules/ax { };
+
   axis = callPackage ../development/python-modules/axis { };
 
   azure-appconfiguration = callPackage ../development/python-modules/azure-appconfiguration { };
@@ -1439,6 +1441,8 @@ self: super: with self; {
 
   botocore = callPackage ../development/python-modules/botocore { };
 
+  botorch = callPackage ../development/python-modules/botorch { };
+
   bottle = callPackage ../development/python-modules/bottle { };
 
   bottleneck = callPackage ../development/python-modules/bottleneck { };
@@ -4235,6 +4239,8 @@ self: super: with self; {
 
   gpy = callPackage ../development/python-modules/gpy { };
 
+  gpytorch = callPackage ../development/python-modules/gpytorch { };
+
   gpt-2-simple = callPackage ../development/python-modules/gpt-2-simple { };
 
   gpyopt = callPackage ../development/python-modules/gpyopt { };
@@ -5718,6 +5724,8 @@ self: super: with self; {
 
   limnoria = callPackage ../development/python-modules/limnoria { };
 
+  linear_operator = callPackage ../development/python-modules/linear_operator { };
+
   linecache2 = callPackage ../development/python-modules/linecache2 { };
 
   lineedit = callPackage ../development/python-modules/lineedit { };