Skip to content
@TUHH-TVT

TUHH-TVT

README.md

predictive thermodynamics: openCOSMO-RS

COSMO-RS Papers realted to openCOSMO-RS:

  • original paper describing openCOSMO-RS is available here.
  • preprint on version 24a of openCOSMO-RS is available here

We provide a python base version for rapid prototyping, a c++ version that is very fast and the conformer pipeline to generate the needed input for the calculations for any molecule.

Popular repositories Loading

  1. openCOSMO-RS_py openCOSMO-RS_py Public

    Python 51 10

  2. openCOSMO-RS_conformer_pipeline openCOSMO-RS_conformer_pipeline Public

    Python 14 2

  3. openCOSMO-RS_cpp openCOSMO-RS_cpp Public

    C++ 9 3

  4. .github .github Public

Repositories

Showing 4 of 4 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…