swMATH ID: 32470
Software Authors: Mojtaba Haghighatlari, Gaurav Vishwakarma, Doaa Altarawy, Ramachandran Subramanian, Bhargava U. Kota, Aditya Sonpal, Srirangaraj Setlur, Johannes Hachmann
Description: ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. ChemML is developed in the Python 3 programming language and makes use of a host of data analysis and ML libraries(accessible through the Anaconda distribution), as well as domain-specific libraries. The development follows a strictly modular and object-oriented design to make the overall code as flexible and versatile as possible. The format of library is similar to the well known libraries like Scikit-learn. ChemML will be soon available via graphical user interface provided by [ChemEco](https://github.com/hachmannlab/chemeco). ChemEco is a general-purpose framework for data mining without coding. It also interfaces with many of the libraries that supply methods for the representation, preprocessing, analysis, mining, and modeling of large-scale chemical data sets.
Homepage: https://hachmannlab.github.io/chemml/
Source Code:  https://github.com/hachmannlab/chemml
Dependencies: Python
Related Software: Amp; Matplotlib; Adam; Scikit; DScribe; pymatgen; Dask; SciPy; NumPy; DeepChem; TensorFlow; Python; ML4Chem
Cited in: 0 Publications