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README.md

deepchem

Molecular ML with diverse featurizers and pre-built datasets.

Setup

cd deepchem
python3 -m venv .venv && source .venv/bin/activate && pip install deepchem numpy traceback -q

Environment variables

None.

Usage

python3 scripts/graph_neural_network.py --help

Dependencies

  • deepchem
  • numpy
  • traceback