Spring 2021 Release

Introduction of a Molecule type which binds the smiles-string, descriptor vector and fitness value together. More logging during an argenomic run: lineage of a molecule becomes tractable. Memoisation responsibility has shifted from fitness call to arbiter, slightly improving efficiency. Smarts for functional groups are (tentatively/temporarily) removed from mutation list

V1.1

This release includes Hydra integration, Dask parallelism, and caching of CVT centroids.

v1.0

Delete requirements.txt

Initial release (stable)

v0.3-alpha

Merge branch 'master' of https://github.com/Jonas-Verhellen/argenomic

Initial release

A very first release of the code.