Installation

You need to have a Python version between 3.8 and 3.10 (inclusive) installed on your system. If you don’t have Python installed, we recommend installing Mambaforge. (If you are installing on a Windows OS, you will need to use python version 3.8 only due to issues with installing the nmslib dependency in other versions)

1. Make sure you have Anaconda installed and functional. Conda FAQ is a great resource for troubleshooting and verifying that everything is working properly.

2. Open terminal or equivalent command line interface and run conda create --name <env_name> python=<version> (e.g. conda create --name eschrEnv python=3.8)

3. Activate the environment by running conda activate <env_name>

4. Once environment is activated, run conda install pip

5. If you do not have Git installed, run conda install git

6. To install ESCHR into your conda environment, run the following line: pip install git+https://github.com/zunderlab/eschr.git

7. Verify that the Conda environment was created successfully by running conda list and verifying that expected packages are installed for this environment. Then either close the environment by running conda deactivate or proceed to subsequent optional setup and/or running the method within the environment.