Agent skill

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.

★ 43,517 stars MIT license K-Dense-AI/scientific-agent-skills

Install this skill

This command installs the skill into the portable ~/.agents/skills directory. The homepage installer can generate the native path for your specific agent.

mkdir -p $HOME/.agents/skills/'deepchem' && curl -fsSL 'https://raw.githubusercontent.com/K-Dense-AI/scientific-agent-skills/HEAD/skills/deepchem/SKILL.md' -o $HOME/.agents/skills/'deepchem'/SKILL.md

View raw SKILL.md View repository

Skill details

Repository: K-Dense-AI/scientific-agent-skills
SKILL.md path: skills/deepchem/SKILL.md
Author: K-Dense-AI
Tags: agent-skill