Skip to content

software_tutorial.md

Latest commit

 

History

History
60 lines (44 loc) · 3.53 KB

software_tutorial.md

File metadata and controls

60 lines (44 loc) · 3.53 KB

🏁 AI Enzyme Design Software Tutorial

This tutorial provides step-by-step instructions for installing and configuring Visual Studio Code (VSCode), as well as a simple guide on how to run Python code on a remote server.

☯ 1. Visual Studio Code (VSCode)

VSCode is a lightweight yet powerful source code editor. You can download it from the official website:
https://code.visualstudio.com/download
We recommend using version 1.96.4 and disabling automatic updates in settings to ensure stable SSH remote connections.
Please select the appropriate version for your operating system. The following instructions assume you are using Windows 10.

⚙️ 1.1 Installing VSCode on Windows 10

  1. Download the VSCode installer, and choose the System Installer version.
  2. Run the downloaded installer, accept the license agreement, and check “I accept the agreement.”
  3. Choose an installation path (ensure the path contains no Chinese characters). It is recommended to install it on a non-system drive.
  4. Select the Start Menu folder (default settings are usually fine).
  5. Select additional tasks (it is recommended to check all options).
  6. Begin installation by clicking Install.
  7. Once installation is complete, click Finish.

⚙️ 1.2 Configuring VSCode

  1. Set the interface language to Chinese (optional):
    • Open the Extensions sidebar (Ctrl+Shift+X), search for “Chinese,” and install the Chinese Language Pack extension.
    • After installation, click Restart to apply the language change.

🌐 2. Connecting to a Remote Server

  1. Install Remote Development extensions:

    • In the Extensions view, search for “Remote” and install the relevant extensions (Remote - SSH and Remote Explorer).

  2. Connect to the remote server:

    • After installing the Remote extensions, click the 💻 Remote Explorer icon on the left sidebar.
    • Click the ➕ button to add a new SSH host.
    • Connect to our course server (the server IP address, username, and password will be announced in the course group chat).

  3. Access your working directory:

    • Click the Explorer tab in the top-left corner of VSCode.
    • Navigate to your working directory, typically located at /data/home/<your_account>/.
    • You may be prompted to enter your password again.

  4. Install Python and Jupyter extensions on the remote server:

    • In the Extensions view, switch the installation context to SSH: xx.xxx.xx.xxx (your connected server).
    • Search for and install the Python and Jupyter extensions.

For more detailed setup instructions, please refer to the following resources 👇

🚩 3. Running Code

  1. Running example notebooks:
    • Ensure that Python and the Jupyter extension are installed on the remote server.
    • Open the provided Jupyter Notebook files (with the .ipynb extension).
    • To open a terminal, go to the top menu bar: View → Terminal. Use this terminal to install any required packages or environments.
    • In the opened Jupyter Notebook, click the kernel name in the top-right corner → Change Kernel → Select Another Kernel, then choose the environment specified for each lesson.

👉 Additional Information:

  • The server has been pre-configured with Anaconda and CUDA.