This tutorial provides a practical introduction to MATLAB, with a focus on effectively running and scaling MATLAB workloads on the WAVE High Performance Computing (HPC) cluster. It is suitable for ...

Abstract: A new model for simulating elastic wave propagation using the open-source k-Wave MATLAB Toolbox is described. The model is based on two coupled first-order equations describing the stress ...

def compute_dist_matrix(pred_file, ref_dset_file, pred_smiles_col='smiles', ref_smiles_col='base_rdkit_smiles'): Compute the Tanimoto distance matrix between the SMILES strings in pred_file and those ...