simonabuzzi
by Simona Buzzi
PhD researcher @ku Leuven | Deep learning & optimization for molecular property prediction
Most Popular
| Ranking | Name | Version |
|---|
Downloads
Usage Instructions
To install packages from this channel, use the channel temporarily with conda or add it to your .condarc file for configured ongoing access. Learn more
- Temporary
- Configured
Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| solprop_ml_mix | 1.5 | The SolProp package contains a code that combines machine learning and thermodynamics for the prediction of solubility related properties, which now is being extended to mixture properties. To make the predictions using the package the neural network model weights are needed. The package including the model weights is available as a conda package. The models in SolProp are trained with databases from the Mixed solvent Gsolv data collection, and Solubility data collection. | Nov 1, 2025 | — |