Users with no Python experience

Installation of ALMOS (only once)

You need a Python environment to install and run ALMOS. These are some suggested first steps:

1. Install Anaconda with Python 3 for your operating system (Windows, macOS or Linux). Alternatively, if you're familiar with conda installers, you can install Miniconda with Python 3 (requires less space than Anaconda).

2. Open an Anaconda prompt (Windows users) or a terminal (macOS and Linux).

3. Create a conda environment called "almos" with Python (conda create -n almos python=3.10).
This is an example for Python 3.10, but it also works for newer Python versions (i.e., 3.11 and 3.12).

4. Activate the conda environment called "almos" (conda activate almos).

5. Install ALMOS as defined in the "Installation" section (pip install almos-kit).

6. Install ROBERT as defined in the "Installation" section (pip install robert).

7. Install the intelex code accelerator (only if your system is compatible with intelex) (pip install scikit-learn-intelex==2025.2.0).

8. Install GLib, GTK3, pango and mscorefonts to avoid errors when creating the PDF report (conda install -y -c conda-forge glib gtk3 pango mscorefonts).

9. Install AQME as defined in the "Installation" section (pip install aqme).

10. Install OpenBabel as defined in the "Installation" section (conda install -y -c conda-forge openbabel=3.1.1).

11. Go to the folder where you want to run the program and have the input files, if any (using the "cd" command, i.e. cd C:/Users/test_almos).

12. Run ALMOS as explained in the Examples Command Line section.