PerovskiteML

Machine learning for perovskite photovoltaics research. Supervised by Dr. Jiawei Gong.

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Installation

1. Install uv (Python package manager):

   winget install --id=astral-sh.uv -e

2. Clone and install dependencies:

   git clone https://github.com/GongMLGroup/PerovskiteML
   cd PerovskiteML
   uv sync

   This creates a .venv virtual environment. VS Code will automatically detect it.

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Updating

After pulling changes:

git pull && uv sync

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Neptune.ai Setup (Recommended)

To enable experiment tracking, set your API token:

Windows Instructions

Temporary (per session):

:: Command Prompt
set NEPTUNE_API_TOKEN=your_api_key_here

# PowerShell
$env:NEPTUNE_API_TOKEN = "your_api_key_here"

Permanent:

:: Command Prompt (system-wide)
setx NEPTUNE_API_TOKEN "your_api_key_here"

# PowerShell (user-level)
[Environment]::SetEnvironmentVariable("NEPTUNE_API_TOKEN", "your_api_key_here", "User")

Restart your terminal after setting permanently.

macOS/Linux (Optional)

# Temporary
export NEPTUNE_API_TOKEN="your_api_key_here"

# Permanent
echo 'export NEPTUNE_API_TOKEN="your_api_key_here"' >> ~/.bashrc && source ~/.bashrc

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Verification

Check if token is set:

:: Command Prompt
echo %NEPTUNE_API_TOKEN%

# PowerShell
echo $env:NEPTUNE_API_TOKEN

Note: Replace your_api_key_here with your actual token. Never commit API keys to version control.