The root deployment is reachable by users at https://api.alchemiscale.org.
It is also often referred to as prod currently, but other instances used for "production" work may also be deployed from this repo over time.
To use this deployed instance, first clone this repository, and switch to the currently-deployed tag:
$ git clone https://github.com/OpenFreeEnergy/alchemiscale.org-deployment.git
$ cd alchemiscale.org-deployment
$ git checkout 2024.11.25-0
Create a conda environment using, e.g. micromamba::
$ micromamba create -f deployments/root/conda-envs/alchemiscale-client.yml
Once installed, activate the environment::
$ micromamba activate alchemiscale-client
You may wish to install other packages into this environment, such as jupyterlab.
See the alchemiscale User Guide for further details on how to connect and interact with the deployment.