diff --git a/.gitignore b/.gitignore
index 8571c375..1117d170 100644
--- a/.gitignore
+++ b/.gitignore
@@ -20,3 +20,6 @@ docs
 *.icloud
 test_scripts/visualizations*
 *.pdf
+env/
+venv/
+.venv/
\ No newline at end of file
diff --git a/.python-version b/.python-version
new file mode 100644
index 00000000..2c073331
--- /dev/null
+++ b/.python-version
@@ -0,0 +1 @@
+3.11
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 00000000..62ca7515
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,33 @@
+[project]
+name = "graphxai"
+version = "0.1.0"
+description = "Add your description here"
+readme = "README.md"
+requires-python = ">=3.11"
+dependencies = [
+    "graphlime>=1.2.0",
+    "ipdb>=0.13.13",
+    "matplotlib>=3.10.8",
+    "networkx>=3.6.1",
+    "numpy>=2.4.1",
+    "pandas>=3.0.0",
+    "pgmpy>=1.0.0",
+    "rdkit-pypi>=2022.9.5",
+    "ruff>=0.14.14",
+    "scikit-learn>=1.8.0",
+    "scipy>=1.17.0",
+    "tensorboardx>=2.6.4",
+    "torch>=2.10.0",
+    "torch-cluster>=1.6.3",
+    "torch-geometric>=2.7.0",
+    "torch-geometric-temporal>=0.56.2",
+    "torch-scatter>=2.1.2",
+    "torch-sparse>=0.6.18",
+    "torch-spline-conv>=1.2.2",
+]
+
+[tool.uv.extra-build-dependencies]
+torch-cluster = ["torch"]
+torch-scatter = ["torch"]
+torch-sparse = ["torch"]
+torch-spline-conv = ["torch"]
diff --git a/requirements.txt b/requirements.txt
deleted file mode 100644
index b48497f2..00000000
--- a/requirements.txt
+++ /dev/null
@@ -1,21 +0,0 @@
-scikit-learn>=1.0
-scipy==1.6.3
-pgmpy==0.1.11
-graphlime==1.2.0
-ipdb==0.13.9
-matplotlib==3.3.2
-networkx==2.5
-numpy==1.20.2
-pandas==1.1.3
-pgmpy==0.1.17
-rdkit-pypi==2021.3.3
-scipy==1.6.3
-sklearn==0.0
-tensorboardX==2.3
-torch==1.10.2
-torch-cluster==1.5.9
-torch-geometric==2.0.1
-torch-geometric-temporal==0.29
-torch-scatter==2.0.9
-torch-sparse==0.6.12
-torch-spline-conv==1.2.1
diff --git a/uv.lock b/uv.lock
new file mode 100644
index 00000000..561c5e7e
--- /dev/null
+++ b/uv.lock
@@ -0,0 +1,2458 @@
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+revision = 3
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+]
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