cdkbook

Category

Therapeutics

Subcategory

unknown

License

CC-BY-SA-4.0(cc)

Status

maintained

Maturity

deployed

Organization

cdk

Country

unknown

Homepage

cdk.github.io/cdkbook/

Repository

github.com/cdk/cdkbook

Documentation

unknown

Tags

cheminformatics · chemistry · chemistry-development-kit · groovy · java

Regulatory

unknown

• egonw
• johnmay
• larsgw

Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

• AutoChemcheminformatics · chemistry · chemistry-development-kit

  Virtual Chemical Reactor and scripts for automated quantum chemistry calculations

• cheminformatics-microservicecheminformatics · chemistry · chemistry-development-kit

  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.

• pyCheckmolcheminformatics · chemistry · chemistry-development-kit

  Application for detecting functional groups of a molecules.

• SpectraFPcheminformatics · chemistry · chemistry-development-kit

  A package to perform fingerprints from spectroscopy datas.

• p2rankgroovy

  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

• nextflowgroovy

  A DSL for data-driven computational pipelines

1. api.github.com/repos/cdk/cdkbook
   retrieved 2026-08-05 · via github-api

   Machine-imported from GitHub search. Last push 2025-12-08, 47 stars, license reported as CC-BY-SA-4.0. Category and schematic were assigned by keyword heuristics and are unreviewed.

Not yet verified by a human. Correct this record →

/v1/entries/22.json→ .entries["cdkbook"]

Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.