← Drug discovery & molecules

DeepChem

Deep learning toolkit for drug discovery, materials and biology.

Visit website ↗

CategoryDrug discovery & molecules
GitHubdeepchem/deepchem
First public2016-01-29 (source)
LicenseMIT
PricingOpen source
Tags#ml#molecules
Last checked2026-10-16

Specs

Task—
Molecular representation—
Open weights—
GitHub stars7,060
InterfacePackage, Docker

Specs come from each project's README, paper or official page · DeepChem README. “—” means we couldn't verify it.

Compare with…

Pick 1–3 other Drug discovery & molecules tools to compare side by side with DeepChem.

Select 1–3 tools

Related

Open-source cheminformatics and machine learning toolkit.

Drug discovery & moleculesOpen source#cheminformatics

DiffDock

Diffusion generative model for molecular docking.

Drug discovery & moleculesOpen source#docking#diffusion

REINVENT 4

AstraZeneca's generative molecular design framework.

Drug discovery & moleculesOpen source#generative#de-novo