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Löffler, Hannes
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README.md

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@@ -51,12 +51,11 @@ Installation
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conda create --name reinvent4 python=3.10
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conda activate reinvent4
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```
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1. Change directory to the repository and install all dependencies. You will need to set the right processor type, see [PyTorch versions](https://pytorch.org/get-started/locally/). Linux supports CUDA (e.g. "cu124"), ROCm (e.g. "rocm6.2.4") and CPU. Windows supports CUDA and CPU. MacOSX only supports CPU (use "mac" as processor type!).
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1. Change directory to the repository and install all dependencies. You will need to set the right processor type, see [PyTorch versions](https://pytorch.org/get-started/locally/). Linux supports CUDA (e.g. "cu124"), ROCm (e.g. "rocm6.2.4") and CPU. Windows supports CUDA and CPU. MacOSX only supports CPU (use "mac" as processor type!). Optionally, you can select dependencies "openeye" (for ROCS; you need to obtain your own license), "isim" for similarity tracking in TensorBoard or "none" to skip all. The default is installation of "all" dependencies. See the help text from the install script for details.
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```shell
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python install.py --help
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python install.py cu124 # or rocm6.2.4, cpu, mac, etc.
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```
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Optionally, you can select dependencies "openeye" (for ROCS; you need to obtain your own license), "isim" for similarity tracking in TensorBoard or "none" to skip all. The default is installation of "all" dependencies. See the help text from the install script for details.
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1. Test the tool. The installer has added a script `reinvent` to your PATH.
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```shell
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reinvent --help

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