# deepchem/deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Repository: https://github.com/deepchem/deepchem
Canonical: https://ross.abutalabs.com/products/deepchem
Homepage: https://deepchem.io/
Language: Python
License: MIT
License Family: permissive
Topics: drug-discovery, quantum-chemistry, deep-learning, biology, materials-science, hacktoberfest
Last push: 2026-08-20T19:01:34+00:00

## Health v2 (maintenance only)
Score: 67/100 (v2, computed 2026-09-03T02:20:16.233290+00:00)
- activity 98, release rhythm 8, longevity 100
- inputs: {"age_days": 3996, "days_push": 13, "days_rel": null, "gap_med": null, "n_releases_24m": 0}
- flags: none
- formula: round(0.45*activity + 0.35*rhythm + 0.20*longevity); archived -> min(score, 10)

## Adoption (not part of the score)
Stars 6961, forks 2294 (observed 2026-08-28T04:09:51.749512+00:00)

## What it is
DeepChem is a Python library that democratizes deep learning for drug discovery, quantum chemistry, materials science, and biology. It provides a high-quality open-source toolchain built on PyTorch and other ML frameworks for molecular machine learning.

## Use cases
- train deep learning models on molecular datasets
- predict molecular properties for drug discovery
- apply machine learning to quantum chemistry data
- build models for materials science
- run ML on bioinformatics datasets
- benchmark new molecular ML models

## When to choose
- you need ML applied to molecules, chemistry, or biology
- you want a Python toolchain for drug discovery modeling
- you need molecular featurization and model building in one library

## When to avoid
- you need general-purpose ML outside molecular/scientific domains
- you need a lightweight dependency-free solution
- you work outside the Python ecosystem

## Facets
- artifact type: library
- maturity: active
- function: machine-learning, deep-learning, data-science, sdk
- domain: chemistry, bioinformatics, machine-learning, healthcare
- platform: python, windows
- tags: drug-discovery, quantum-chemistry, molecular-machine-learning, rdkit, materials-science, biology, linux, macos

## Member repositories
- deepchem/deepchem (main) score 67

## Provenance
- Observed fields: from GitHub, fetched 2026-08-28T04:09:51.749512+00:00.
- Health v2: computed from the inputs above; adoption is never an input.
- Inferred fields (summary, facets, guidance): AI-extracted, prompt v1, taxonomy v1, on 2026-08-29T17:41:11.482841+00:00, confidence not recorded.
  - readme: https://github.com/deepchem/deepchem (fetched 2026-08-28T04:09:51.749512+00:00, sha 2418e62ae22c)
  - homepage: https://deepchem.io/ (fetched 2026-08-29T08:37:00.555238+00:00, sha 77b74a602a82)
  - site_page: https://deepchem.io/about (fetched 2026-08-29T08:37:00.564181+00:00, sha 75bfe8252a95)
- Data as of 2026-08-30T08:39:29.467469+00:00.