This repository houses the main driver for executing an AutoMech workflow.
The AutoMech code is in development, so we encourage users to install it in developer mode and send us bug reports. See here for instructions to get set up.
End-users who are unable to contribute (see above) can install the code using Conda, Mamba, or Pixi.
conda install automech # option 1
mamba install automech # option 2
pixi add automech # option 3
Before running the above command, you will need to add auto-mech to your list of
channels:
conda config --append channels auto-mech # option 1 and 2
pixi project channel add auto-mech # option 3
If conda-forge isn't the default channel for your Conda/Mamba installation, you will
also need to set this additional configuration using the command above with --prepend.