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update installation with PyPI #283

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Jan 8, 2024
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update installation with PyPI #283

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14 changes: 13 additions & 1 deletion README.md
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Expand Up @@ -47,6 +47,18 @@ Requirements:

(for openMM, use Python = 3.9)

### pip installation

To install via `pip`, follow the steps below:

```sh
pip install --upgrade pip
pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu118
pip install mace-torch
```

For CPU or MPS (Apple Silicon) installation, use `pip install torch torchvision torchaudio` instead.

### conda installation

If you do not have CUDA pre-installed, it is **recommended** to follow the conda installation process:
Expand All @@ -67,7 +79,7 @@ git clone https://github.com/ACEsuit/mace.git
pip install ./mace
```

### pip installation
### pip installation from source

To install via `pip`, follow the steps below:

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