v2021.11.14

• Command line options added
• Increased coverage

v2021.11.13

• Python version and pandas version fix

v2021.11.12

• Modified pretrained.py script
• Added several figures

v2021.11.11

• Adding pre-trained model
• Fix version pinning for pyparsing
• Adding cli check

v2021.10.01

• Added colab notebook example
• Compatible with both python 3.7 and 3.8 now

v2021.09.29

• Release at the paper acceptance stage
• Added codecov coverage, and paperswithcode badges

v2021.08.02

• Added output_dir option
• Added hMOF and PDBBind core database trainers
• Added early_stopping
• Fixed standardscaler to work with folder based training

v2021.07.10

• Simplify train_folder.py
• Add more datasets

v2021.07.05

• QM9_JCTC training
• EDOS_PDOS script added
• Multiple output data training example added

v2021.06.20

• Added QM9_DGL training
• Clean up DOS training scripts