diff --git a/environment.yml b/environment.yml
new file mode 100644
index 0000000..7cdab48
--- /dev/null
+++ b/environment.yml
@@ -0,0 +1,20 @@
+channels:
+  - defaults
+  - pytorch
+  - nvidia
+  - pyg
+dependencies:
+  - cudatoolkit
+  - numpy=1.26.2
+  - pytorch=2.1.1
+  - scikit-learn=1.3.0
+  - loguru=0.5.3
+  - botorch=0.9.5
+  - gpytorch=1.11
+  - pandas=2.1.4
+  - scipy=1.11.4
+  - matplotlib=3.8.0
+  - seaborn=0.12.2
+  - ipython=8.19.0
+  - dscribe=2.1.0
+  - rdkit
diff --git a/hello.py b/hello.py
deleted file mode 100644
index a025bbf..0000000
--- a/hello.py
+++ /dev/null
@@ -1,2 +0,0 @@
-def hello_world():
-    return "Hello!"
diff --git a/hello_test.py b/hello_test.py
deleted file mode 100644
index 708a061..0000000
--- a/hello_test.py
+++ /dev/null
@@ -1,5 +0,0 @@
-import hello
-
-
-def test_hello():
-    assert hello.hello_world() == "Hello World!"
diff --git a/src/mock1/__init__.py b/src/mock1/__init__.py
deleted file mode 100644
index d98cc4b..0000000
--- a/src/mock1/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-"""Mock function that  gets installed by requirements.txt"""
-from mock1._mock1 import Mock1
diff --git a/src/mock1/_mock1.py b/src/mock1/_mock1.py
deleted file mode 100644
index 43f32d9..0000000
--- a/src/mock1/_mock1.py
+++ /dev/null
@@ -1,6 +0,0 @@
-class Mock1:
-    def __init__(self):
-        pass
-
-    def mock(self):
-        print("this is a mock function")
diff --git a/src/mock2/__init__.py b/src/mock2/__init__.py
deleted file mode 100644
index 9d29bf3..0000000
--- a/src/mock2/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-"""Mock function that  gets installed by requirements.txt"""
-from mock2._mock2 import Mock2
diff --git a/src/mock2/_mock2.py b/src/mock2/_mock2.py
deleted file mode 100644
index f5b7725..0000000
--- a/src/mock2/_mock2.py
+++ /dev/null
@@ -1,6 +0,0 @@
-class Mock2:
-    def __init__(self):
-        pass
-
-    def mock(self):
-        print("this is a mock function")