diff --git a/.github/ISSUE_TEMPLATE/bug-report.yml b/.github/ISSUE_TEMPLATE/bug-report.yml
new file mode 100644
index 0000000..8b417d9
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/bug-report.yml
@@ -0,0 +1,53 @@
+name: Bug report
+description: Create a bug report to help us eliminate issues and improve Uni-Mol.
+title: "[BUG] _Replace With Suitable Title_"
+labels: bug
+assignees: []
+body:
+  - type: textarea
+    attributes:
+      label: Describe the bug
+      description: |
+        A clear and concise description of what the bug is.
+    validations:
+      required: true
+  
+  - type: input
+    id: version
+    attributes:
+      label: Uni-Mol Version
+      description: "The version of Uni-Mol you are using, e.g. Uni-Mol, Uni-Mol2, Uni-Mol Tools, etc."
+    validations:
+      required: true
+
+  - type: textarea
+    attributes:
+      label: Expected behavior
+      description: |
+        A clear and concise description of what you expected to happen.
+    validations:
+      required: true
+      
+  - type: textarea
+    attributes:
+      label: To Reproduce
+      description: |
+        It is recommended to attach your data, cases here for the developers to reproduce the bug.
+      
+  - type: textarea
+    attributes:
+      label: Environment
+      description: |
+        - OS: [e.g. Ubuntu 20.04]
+        - Dependencies: [e.g. PyTorch, SciPy, NumPy, ...]
+      
+  - type: textarea
+    attributes:
+      label: Additional Context
+      description: |
+        Add any other context about the problem here.
+      
+  - type: markdown
+    attributes:
+      value: >
+        Thanks for contributing 🎉!
diff --git a/.github/ISSUE_TEMPLATE/documentation.yml b/.github/ISSUE_TEMPLATE/documentation.yml
new file mode 100644
index 0000000..c4625af
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/documentation.yml
@@ -0,0 +1,16 @@
+name: Docs
+description: For users or developers to report issues related to software documentation, such as missing or incomplete documentation, or documentation that is difficult to understand.
+labels: documentation
+assignees: []
+body:
+- type: textarea
+  attributes:
+    label: Details
+    description: |
+      Please provide details about the documentation issue you are experiencing. Include any relevant information such as the specific section of the documentation, the information that is missing or unclear, and any suggestions for improvement. 
+  validations:
+      required: true
+- type: markdown
+  attributes:
+    value: >
+      Thank you for reporting this documentation issue. We will review and update the documentation as necessary. 📚
diff --git a/.github/ISSUE_TEMPLATE/feature-request.yml b/.github/ISSUE_TEMPLATE/feature-request.yml
new file mode 100644
index 0000000..5dd38b0
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/feature-request.yml
@@ -0,0 +1,37 @@
+name: Feature request
+description: Suggest an idea for this project.
+title: "[Feature Request] _Replace with Title_"
+labels: enhancement
+assignees: []
+body:
+  - type: textarea
+    id: summary
+    attributes:
+      label: Summary
+      description: "Please provide a brief and concise description of the suggested feature or change"
+      placeholder:
+      value:
+    validations:
+      required: true
+  - type: textarea
+    id: details
+    attributes:
+      label: Detailed Description
+      description: "Please explain how you would like to see Uni-Mol enhanced, what feature(s) you are looking for, what specific problems this will solve. If possible, provide references to relevant background information like publications or web pages, and whether you are planning to implement the enhancement yourself or would like to participate in the implementation. If applicable add a reference to an existing bug report or issue that this will address."
+      placeholder:
+      value:
+    validations:
+      required: true
+  - type: textarea
+    id: further
+    attributes:
+      label: Further Information, Files, and Links
+      description: "Put any additional information here, attach relevant text or image files and URLs to external sites, e.g. relevant publications"
+      placeholder:
+      value:
+    validations:
+      required: false
+  - type: markdown
+    attributes:
+      value: >
+        Thanks for contributing 🎉!
diff --git a/.github/ISSUE_TEMPLATE/generic-issue.yml b/.github/ISSUE_TEMPLATE/generic-issue.yml
new file mode 100644
index 0000000..439aa73
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/generic-issue.yml
@@ -0,0 +1,35 @@
+name: Generic issue
+description: For issues that do not fit any of the other categories.
+title: _Replace With a Descriptive Title_
+labels: wontfix
+assignees: []
+body:
+  - type: textarea
+    id: summary
+    attributes:
+      label: Summary
+      description: "Please provide a clear and concise description of what the question is."
+      placeholder:
+      value:
+    validations:
+      required: true
+  - type: input
+    id: version
+    attributes:
+      label: Uni-Mol Version
+      description: "The version of Uni-Mol you are using, e.g. Uni-Mol, Uni-Mol2, Uni-Mol Tools, etc."
+    validations:
+      required: true
+  - type: textarea
+    id: details
+    attributes:
+      label: Details
+      description: "Please explain the issue in detail here."
+      placeholder:
+      value:
+    validations:
+      required: true
+  - type: markdown
+    attributes:
+      value: >
+        Thanks for contributing 🎉!