agent-skills-hub/deepchem
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.
This is a copy. The original lives at christophacham/deepchem.
npx skills add https://github.com/agent-skills-hub/agent-skills-hub --skill deepchemTake agent-skills-hub/deepchem from the repository into ~/.claude/skills for personal
use, or into .claude/skills inside a project.
The agent identifies a skill by the name field in its header. Two skills with the
same name cannot sit side by side — one of them will be ignored.
The instructions reference pip, uv.
Without those the skill loads but fails at the first command.