AmpTorch - Stable release

This is the stable release with key features for JOSS publication. Features are the same as v0.2 with minor updates.

Major features:

• GMP fingerprint support
• PyTorch Geometric integration
• Skorch integration
• GPU/Multi-GPU support via DataParallel
• Weights and Biases logger support
• Uncertainty quantification support
• LMDB data storage option

Scientific Software - Peer-reviewed - C++
Published by nicoleyghu over 2 years ago

AmpTorch - Initial release

This is the stable release with key features.

Major features:

• GMP fingerprint support
• PyTorch Geometric integration
• Skorch integration
• GPU/Multi-GPU support via DataParallel
• Weights and Biases logger support
• Uncertainty quantification support
• LMDB data storage option

Scientific Software - Peer-reviewed - C++
Published by mshuaibii over 2 years ago

AmpTorch - AMPtorch Initial release

Initial official release to allow use on HPC sites.

Scientific Software - Peer-reviewed - C++
Published by mshuaibii over 4 years ago