Pinned Repositories
Eutectic-prediction
ML model based on support vector regression integrating experimental data, COSMO-RS simulations, and cheminformatic descriptors for computing the melting points of deep eutectic solvents and predicting solid-liquid equilibriums
GEMDAT
Python toolkit for molecular dynamics analysis
gemdat-dashboard
A dashboard for GEMDAT
test_data
Test Data for GEMDAT
DESignSolvents
AstyLavrinenko's Repositories
AstyLavrinenko/Eutectic-prediction
ML model based on support vector regression integrating experimental data, COSMO-RS simulations, and cheminformatic descriptors for computing the melting points of deep eutectic solvents and predicting solid-liquid equilibriums