download_fps

download_fps(version: str | int | float | VersionInfo | None = None, *, prefix: Sequence[str] | None = None, return_version: Literal[True] = False) → VersionPathPair[source]
download_fps(version: str | int | float | VersionInfo | None = None, *, prefix: Sequence[str] | None = None, return_version: Literal[False] = False) → Path

Ensure the latest ChEMBL fingerprints file is downloaded.

This file contains 2048 bit radius 2 morgan fingerprints.

Parameters:

  • version – The version number of ChEMBL to get. If none specified, uses latest() to look up the latest.

  • prefix – The directory inside pystow to use

  • return_version – Should the version get returned? Turn this to true if you’re looking up the latest version and want to reduce redundant code.

Returns:

If return_version is true, return a pair of the version and the local file path to the downloaded *.fps.gz file. Otherwise, just return the path.