Metadata-Version: 2.4
Name: fairfetched
Version: 0.0.1.post20260320
Summary: data APIs for reproducible data fetching in cheminformatics
Project-URL: Homepage, https://github.com/lucinamay/fairfetched
Requires-Python: >=3.11
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: polars>=1.38.1
Provides-Extra: track
Requires-Dist: rich>=14.3.3; extra == "track"
Provides-Extra: rdkit
Requires-Dist: rdkit>=2025.9.6; extra == "rdkit"
Provides-Extra: standardise
Requires-Dist: fairfetched[rdkit]; extra == "standardise"
Requires-Dist: chembl-structure-pipeline>=1.2.4; extra == "standardise"
Requires-Dist: papyrus-structure-pipeline>=0.0.5; extra == "standardise"
Provides-Extra: dev
Requires-Dist: pytest>=9.0.2; extra == "dev"
Requires-Dist: sqlalchemy>=2.0.46; extra == "dev"
Requires-Dist: fairfetched[standardise]; extra == "dev"
Requires-Dist: rust-just>=1.46.0; extra == "dev"
Dynamic: license-file

# fairfetched
data APIs for reproducible data fetching in cheminformatics in line with FAIR principles

# installation 
you can install this package through
`uv add fairfetched` (recommended)

or if you do not use the uv package manager:
`pip install fairfetched`


# roadmap
- [ ] papyrus database support
  - [x] papyrus latest version download
  - [x] simple nested filtering
  - [ ] efficient nested filtering
  - [ ] all-version support
  - [ ] built-in pivots
- [ ] chembl database support
  - [x] database to tables (parquet)
  - [ ] intuitive pre-merged flat files
  - [ ] database visualisation 
- [ ] reproducion from downloaded raw file 
- [ ] reproducible molecular (and protein?) standardisation
- [ ] automated time-url logging and manifest files
- [ ] well-organised logging
- [ ] dependency minimisation
- [ ] other database support
- [ ] preservation of api and parsing logic per major version
