costcalc2 is a Python library for calculating the overall raw materials costs of a user-defined synthetic route.
- Python >= 3
- Numpy >= 1.0
- Pandas >= 1.0
- Matplotlib >= 3.0
- Openpyxl >= 3.0
A minimal working web application is available for running cost calculations without installing this package. See the package documentation for information on the package and instructions for creating the required input tables. There is also an annotated Jupyter notebook that demonstrates a common use case and most of the class methods.
The costcalc2 package can be installed using either pip
$ pip install costcalc2
or conda
$ conda install -c rnelsonchem costcalc2