diff --git a/README.md b/README.md index 816a0d7..91abdab 100644 --- a/README.md +++ b/README.md @@ -17,6 +17,23 @@ MatterSim is a deep learning atomistic model across elements, temperatures and pressures. ## Installation +### Install from PyPI +
+Notes +Although this is not mandatory, we recommend you to create a clean conda environment before attempting to install MatterSim. You can create a conda environment with the following command: +```bash +# create the environment +conda create -n mattersim python=3.9 +# activate the environment +conda activate mattersim +``` +
+ +To install MatterSim, run the following command: +``` +pip install mattersim +``` + ### Install from source code > [!WARNING] > We strongly recommend that users install MatterSim using [mamba or micromamba](https://mamba.readthedocs.io/en/latest/index.html), because *conda* can be significantly slower when resolving the dependencies in environment.yaml.