diff --git a/conda/dgllife/README.md b/conda/dgllife/README.md
deleted file mode 100644
index b19689f0..00000000
--- a/conda/dgllife/README.md
+++ /dev/null
@@ -1,3 +0,0 @@
-# Conda Recipe
-
-Build the package with `conda build .`
\ No newline at end of file
diff --git a/conda/dgllife/build.sh b/conda/dgllife/build.sh
deleted file mode 100644
index 74ecb4d0..00000000
--- a/conda/dgllife/build.sh
+++ /dev/null
@@ -1 +0,0 @@
-$PYTHON setup.py install --single-version-externally-managed --record=record.txt    # Python command to install the script.
\ No newline at end of file
diff --git a/conda/dgllife/conda_build_config.yaml b/conda/dgllife/conda_build_config.yaml
deleted file mode 100644
index 7bdf8158..00000000
--- a/conda/dgllife/conda_build_config.yaml
+++ /dev/null
@@ -1,3 +0,0 @@
-python:
-  - 3.6
-  - 3.7
\ No newline at end of file
diff --git a/conda/dgllife/meta.yaml b/conda/dgllife/meta.yaml
deleted file mode 100644
index 30f7da95..00000000
--- a/conda/dgllife/meta.yaml
+++ /dev/null
@@ -1,31 +0,0 @@
-package:
-  name: dgllife{{ environ.get('APP_PACKAGE_SUFFIX', '') }}
-  version: "0.2.7"
-
-source:
-  url: https://files.pythonhosted.org/packages/04/f1/08bed2f6e9f869d8cd4a101978c5ec202769554d8baf44e1c39f80a40cf5/dgllife-0.2.7.tar.gz
-  sha256: acd23be4c3810c2dbfd4ec2bade58d552f6b81452a89e1ffe35a34e846327bd2
-
-channels:
-  - defaults
-  - conda-forge
-
-requirements:
-  build:
-    - python {{ python }}
-    - setuptools
-    - cmake
-    - git
-    - cython
-  run:
-    - python
-    - requests
-    - scikit-learn
-    - pandas
-    - tqdm
-    - numpy
-    - scipy
-    - networkx
-
-about:
-  license: Apache
\ No newline at end of file
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 00000000..439c3f69
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,28 @@
+[build-system]
+requires = [
+  "setuptools>=61.0"
+]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "dgl-lifesci"
+version = "0.3.3"
+authors = [
+  { name="Example Author", email="author@example.com" },
+]
+description = "Python package for graph neural networks in chemistry and biology"
+readme = "README.md"
+requires-python = ">=3.6"
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: Apache License 2.0",
+    "Operating System :: OS Independent",
+]
+dependencies = [
+    "torch==2.1",
+    "dgl==1.1.2"
+]
+
+[project.urls]
+"Homepage" = "https://github.com/awslabs/dgl-lifesci/"
+"Bug Tracker" = "https://github.com/awslabs/dgl-lifesci/issues"