/tools/chemml
chemml
hachmannlab/chemml
summary
ChemML is a machine learning and informatics program suite that facilitates the analysis and modeling of chemical and materials data. It provides tools for predicting molecular properties and supports various applications in drug discovery and materials informatics.
description
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
topics
quantum-mechanicsmaterials-informaticsdata-sciencemachine-learningdrug-discoverydeep-learning
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