melting-point-prediction

There are 0 repository under melting-point-prediction topic.

• 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

  deep-eutectic-solventsmachine-learningcosmo-rs-descriptorsmelting-point-predictionsolid-liquid-equilibrium
  Language:Jupyter Notebook 3

• shubhamkrpandey19 / Message-Passing-Neural-Network-MPNN-for-Regression

  SMILES converted into Graphs that contains atomic information, bonding informatics. Graphs considered as input for the NN to Predict Melting Pont of Liquid Crystals (LCs)

  gnn-learningliquid-crystalsmelting-point-predictionmpnn-modelsmiles-strings
  Language:Python