Jonas Lederer

- OS: Windows 10 - PyTorch version: 1.1.0 - How you installed PyTorch (conda, pip, source): conda - Python version: 3.7 - CUDA/cuDNN version: 10.1, V10.1.168 - GPU models and...

NeighborListWrapper is removed and AtomsConverter now takes either transform or list of transform

replaced ethanol model: - old model was not compatible with CastTo64 transform anymore - new model is trained on rmd17 instead of md17 now implemented: SpkCalculator SpkEnsembleCalculator

still crashes before epoch 20