We are proud to anounce the public release of ThermoLIB, a Python/Cython library for post-processing molecular simulations to construct, transform and (de)project free energy surfaces and extract thermodynamic and kinetic properties. All with proper error estimation! More information on how to download and use ThermoLIB can be found on the links below.
Documentation | https://molmod.github.io/ThermoLIB
Git repository | https://github.com/molmod/ThermoLIB
Preprint manuscript | https://doi.org/10.48550/arXiv.2601.23071
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