diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 00000000..8b40e6fa
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,17 @@
+[build-system]
+requires = ["flit_core >=3.4,<4"]
+build-backend = "flit_core.buildapi"
+
+[project]
+name = "mlptrain"
+description = "Machine Learning Potential Training"
+authors = [{name = "Duarte Group"}]
+readme = "README.md"
+license = {file = "LICENSE.md"}
+classifiers = ["License :: OSI Approved :: MIT License"]
+dynamic = ["version"]
+requires-python = ">=3.8"
+
+[project.urls]
+Home = "https://github.com/duartegroup/mlp-train"
+Source = "https://github.com/duartegroup/mlp-train"
diff --git a/setup.py b/setup.py
deleted file mode 100644
index 7c85d083..00000000
--- a/setup.py
+++ /dev/null
@@ -1,18 +0,0 @@
-from setuptools import setup
-
-
-setup(name='mlptrain',
-      version='1.0.0a2',
-      description='Machine Learning Potential Training',
-      packages=['mlptrain',
-                'mlptrain.configurations',
-                'mlptrain.loss',
-                'mlptrain.training',
-                'mlptrain.sampling',
-                'mlptrain.potentials',
-                'mlptrain.potentials.gap',
-                'mlptrain.potentials.ace',
-                'mlptrain.potentials.nequip'],
-      url='https://github.com/duartegroup/mlp-train',
-      license='MIT',
-      author='mlp-train authors')