This release fixes an issue in the `plot_tsne.py` script, where the `TSNE` object was initialized with a now deprecated parameter called `square_distances`. This parameter has now been removed.
1.0.4
Added a `save_fingerprints` script to compute fingerprints (RDKit or Morgan) from the SMILES in a CSV file and save them as an NPZ file. The computation is done in parallel for speed.
Also fixed a version issue between `scipy` and `descriptastorus`.
1.0.3
Fixing RDKit fingerprints with NumPy version >= 1.24.0 and fixing metrics for nearest neighbor scripts.
1.0.2
Fixing SA score import.
1.0.1
Making SA score optional to avoid errors when not installed.