github:aiskillstore/marketplace · first committed 2026-01-13 · source · badge
Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.
Listed, not yet scored. This skill has no public model test yet. It is in the scoring queue; submitted skills go first, then the most-installed.
1 commit to this file on GitHub (newest first).