8ee031342a
- environment.yml: Added PyTorch with CUDA 12.1, PyG (torch-geometric), and TensorBoard for neural network training - INSTALL_INSTRUCTIONS.md: Step-by-step guide for installing Miniconda and setting up the Atomizer environment 🤖 Generated with [Claude Code](https://claude.com/claude-code) Co-Authored-By: Claude <noreply@anthropic.com>
1.8 KiB
1.8 KiB
Atomizer Installation Guide
Step 1: Install Miniconda (Recommended)
-
Download Miniconda from: https://docs.conda.io/en/latest/miniconda.html
- Choose: Miniconda3 Windows 64-bit
-
Run the installer:
- Check "Add Miniconda3 to my PATH environment variable"
- Check "Register Miniconda3 as my default Python"
-
Restart your terminal/VSCode after installation
Step 2: Create Atomizer Environment
Open Anaconda Prompt (or any terminal after restart) and run:
cd C:\Users\Antoine\Atomizer
conda env create -f environment.yml
conda activate atomizer
Step 3: Install PyTorch with GPU Support (Optional but Recommended)
If you have an NVIDIA GPU:
conda activate atomizer
pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu121
pip install torch-geometric
Step 4: Verify Installation
conda activate atomizer
python -c "import torch; import optuna; import pyNastran; print('All imports OK!')"
python -c "import torch; print(f'CUDA available: {torch.cuda.is_available()}')"
Step 5: Train Neural Network
conda activate atomizer
cd C:\Users\Antoine\Atomizer\atomizer-field
python train_parametric.py --train_dir ../atomizer_field_training_data/bracket_stiffness_optimization_atomizerfield --epochs 100 --output_dir runs/bracket_model
Quick Commands Reference
# Activate environment (do this every time you open a new terminal)
conda activate atomizer
# Train neural network
cd C:\Users\Antoine\Atomizer\atomizer-field
python train_parametric.py --train_dir ../atomizer_field_training_data/bracket_stiffness_optimization_atomizerfield --epochs 100
# Run optimization with neural acceleration
cd C:\Users\Antoine\Atomizer\studies\bracket_stiffness_optimization_atomizerfield
python run_optimization.py --run --trials 100 --enable-nn