Utilities¶

DeepChem has a broad collection of utility functions. Many of these maybe be of independent interest to users since they deal with some tricky aspects of processing scientific datatypes.

Data Utilities¶

Array Utilities¶

Data Directory¶

The DeepChem data directory is where downloaded MoleculeNet datasets are stored.

URL Handling¶

File Handling¶

Molecular Utilities¶

Molecular Fragment Utilities¶

It’s often convenient to manipulate subsets of a molecule. The MolecularFragment class aids in such manipulations.

Coordinate Box Utilities¶

Evaluation Utils¶

Genomic Utilities¶

Geometry Utilities¶

Hash Function Utilities¶

Voxel Utils¶

Graph Convolution Utilities¶

Debug Utilities¶

Docking Utilities¶

These utilities assist in file preparation and processing for molecular docking.

Print Threshold¶

The printing threshold controls how many dataset elements are printed when dc.data.Dataset objects are converted to strings or represnted in the IPython repl.