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knc6 authored Apr 3, 2024
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Expand Up @@ -57,13 +57,15 @@ bash Miniconda3-latest-Linux-x86_64.sh (for linux)
bash Miniconda3-latest-MacOSX-x86_64.sh (for Mac)
```
Download 32/64 bit python 3.10 miniconda exe and install (for windows)
Now, let's make a conda environment, say "version", choose other name as you like::
Now, let's make a conda environment, say "my_alignn", choose other name as you like::
```
conda create --name version python=3.10
source activate version
conda create --name my_alignn python=3.10
conda activate my_alignn
conda install alignn
```
Starting version 2024.3.24, we have developed a conda package for alignn: [https://anaconda.org/conda-forge/alignn](https://anaconda.org/conda-forge/alignn)

#### optional GPU dependencies
#### optional GPU dependencies notes

If you need CUDA support, it's best to install PyTorch and DGL before installing alignn to ensure that you get a CUDA-enabled version of DGL.

Expand All @@ -88,7 +90,7 @@ conda install -c dglteam/label/cu118 dgl==1.0.2.cu118

#### Method 1 (editable in-place install)

You can install a development version of alignn by cloning the repository and installing in place with pip:
You can laso install a development version of alignn by cloning the repository and installing in place with pip:

```
git clone https://github.com/usnistgov/alignn
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