v2021.06.18

• Added multi-output regression capability
• Fast dataset predictions
• Fixed pandas version

v2021.5.16

• Train from folder
• Several minor updates

v2021.5.11

• Best MAEs so far on JV & MP datasets.

v2021.5.8

• Fix bug in data.py for classification

v2021.5.7

• Increase test coverage
• Add classification models
• High-accuracy ALIGNN model parameters added

v2021.5.2

• Use updated Queue.slurm from jarvis-tools for GPUs

v2021.5.1

• Dataset splitter updated
• Bug in dataset loader due to "math.isnan" is added
• Automated training scripts added
• Fixed pytorch-ignite version

v2021.4.29

• Increased coverage
• Options to use non-canonized edge graphs

v2021.4.28

• Dense ALIGNN models added