ThermoEcos ecosystem is an open-source framework for thermodynamic modeling and required data auch as standard thermodynamic properties, experimental data, and recipes (compositions) of relevant objects such as rock, seawater, cement etc. It embraces ThermoHub and ThermoMod.
ThermoHub is a multi-format database for storing various types of thermodynamic data arranged in several thermodynamic datasets and available online for everybody with help of the ThermoFun client code.
ThermoMod is part of ThermoEcos embracing microservices and codes for fetching, handling, optimization and prediction of thermodynamic data, as well as codes for performing (geo)chemical thermodynamic modelling using GEM algorithms.
Most codes that work with ThermoHub have Python APIs and can be used from Jupyter notebooks. An interactive demo is also available (see "ThermoFun Demo" button in the main page). The ThermoFun code, publicly available on Github, is already used by modelling codes such as xGEMS/pyGEMS and Reaktoro. Please, contact the Team for uploading your thermodynamic dataset to the ThermoHub database to make it available for all.
Currently, you can download and install GEM-Selektor or Reaktoro modelling codes that both can pull thermodynamic data from central ThermoHub database and store locally for fast calculations. In perspective, it will be possible to use parts of these codes in Jupyter notebooks or Python codes. Dedicated web apps will be available as well. GEMSFITS parameter optimization code, currently available for download, will be replaced by a more versatile ThermoFit service, integrated with both ThermoHub and ThermoExp databases. More database clients will also be available.