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Xue Fang's Projects

gnn_interactions icon gnn_interactions

Code for reproducing experiments in "On the Ability of Graph Neural Networks to Model Interactions Between Vertices"

hsp_toolkit_prototype icon hsp_toolkit_prototype

Hansen solubility parameters tools for multi-solvent suggestion and materials HSP prediction (prototype version)

numericalmethods icon numericalmethods

Content of the course Numerical Methods offered by Dr. Raghunathan Ramakrishnan at TIFR Hyderabad.

rdkit icon rdkit

The official sources for the RDKit library

solv_pred_plus icon solv_pred_plus

Advanced version of SolvPred. Design solvents by selected features.

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