Skip to content

moses

Description

moses website

Molecular Sets (MOSES), a benchmarking platform to support research on machine learning for drug discovery. MOSES implements several popular molecular generation models and provides a set of metrics to evaluate the quality and diversity of generated molecules.

Environment Modules

Run module spider moses to find out what environment modules are available for this application.

Environment Variables

  • HPC_MOSES_DIR - installation directory
  • HPC_MOSES_BIN - executable directory

Citation

If you publish research that uses moses you have to cite it as follows:

Polykovskiy, D., Zhebrak, A., Sanchez-Lengeling, B., Golovanov, S., Tatanov, O., Belyaev, S., Kurbanov, R., Artamonov, A., Aladinskiy, V., Veselov, M., Kadurin, A., Johansson, S., Chen, H., Nikolenko, S., Aspuru-Guzik, A., & Zhavoronkov, A. (2020). Molecular Sets (MOSES): A benchmarking platform for molecular generation models. Frontiers in Pharmacology, 11, 565644. https://doi.org/10.3389/fphar.2020.565644

Categories

machine learning, data science