deepchem

SAFE max severity SAFESkillSpector Caution 3 registry K-Dense-AI last scanned 1 scan

No security findings. Scanned 1 time, most recently 2026-10-21.

Second scanner: NVIDIA SkillSpector

Independent static run, no language model, over the same files as the Cisco scan above. How the two scanners compare across the whole corpus: Two scanners, one corpus.

What this skill does

Builds molecular property prediction and MoleculeNet workflows with DeepChem, including SMILES featurization, scaffold or grouped holdouts, masked labels, graph models and explicit pretrained encoder transfer. Used for ADMET, toxicity, solubility and chemistry ML when DeepChem data/model contracts and scientific validation are needed.

Package
10 files, 69 KB
SKILL.md
1023 words, 11 sections
Code
Python (4)
Allowed tools
Read Write Edit Bash
License
MIT license
Compatibility
Requires Python 3.11 for the tested DeepChem 2.8.0 stack. Molecular workflows need RDKit. Torch, Transformers, torch-geometric or DGL/DGL-LifeSci depend on the chosen model. Network is needed only for package, benchmark or model downloads.

SKILL.md covers: DeepChem · When to use · Workflow · Essential model contracts · Installation · Bundled scripts · ESOL log10(mol/L), or custom continuous targets in their declared input units. · Model-specific graph features, including bonds where required. · Explicit HF network + tokenizer; single complete task only. · References and validation · Citing Scientific Agent Skills

Findings

No findings. SAFE

What is in the package

FileKindSize
SKILL.mddoc8.8 KB
references/api_reference.mddoc8.3 KB
references/core_capabilities.mddoc3.6 KB
references/review.mddoc5.2 KB
references/typical_workflows.mddoc3.1 KB
references/workflows.mddoc7.0 KB
scripts/_common.pyscript6.3 KB
scripts/graph_neural_network.pyscript9.3 KB
scripts/predict_solubility.pyscript6.8 KB
scripts/transfer_learning.pyscript11 KB

External hosts referenced

github.com huggingface.co deepchem.readthedocs.io arxiv.org pypi.org doi.org export.arxiv.org www.dgl.ai

Hostnames that appear in the skill's files. Referencing a host is not a finding; compare against the findings above and the skill's stated purpose.

Package contents recorded 2026-10-22 at commit 593377bb0487. The scan above ran against the version current at scan time; the two can differ if the skill has since been updated.

What we checked

What we did not check

Sources