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Results for “molecular-property-prediction”

3 skills
k-dense-ai
torchdrug
Build and train graph neural networks for drug discovery, protein modeling, and molecular science using PyTorch-native tools.
30.2k · bundle
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k-dense-ai
deepchem
Predict molecular properties, train graph neural networks, and run drug discovery workflows using DeepChem's featurizers, models, and MoleculeNet benchmarks.
30.2k · bundle
k-dense-ai
pytdc
Access AI-ready drug discovery datasets and benchmarks from Therapeutics Data Commons, covering ADME, toxicity, drug-target interactions, and molecular generation with standardized splits and evaluation metrics.
30.2k · bundle