Results for “pubchem”

Predict molecular properties, train graph neural networks, and run drug discovery workflows using DeepChem's featurizers, models, and MoleculeNet benchmarks.

Filters and prioritizes compound libraries in drug discovery using drug-likeness rules, structural alerts, complexity metrics, and a query language.

Build and train graph neural networks for drug discovery, protein modeling, and molecular science using PyTorch-native tools.

Benchmarks zero-shot in-context learning on BIG-Bench Hard multiple-choice tasks, comparing self-generated demonstrations against direct prompting and chain-of-thought baselines, and reports accuracy.