Releases: DrrDom/sirms
Releases · DrrDom/sirms
SiRMS v1.2.2
v1.1.0
SiRMS: advanced
Descriptors for single compounds, quasi-mixtures, mixtures and reactions. Variable size of considered fragments. Human readable SMILES-like descriptor notation.
SiRMS - the first beta release
Calculation of simplex and property-labelled simplex descriptors for single compounds and mixtures of arbitrary composition.