PyTorch-AutoNEB
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fdraxler
PyTorch AutoNEB implementation to identify minimum energy paths, e.g. in neural network loss landscapes
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PyTorch-AutoNEB issues
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Dear all, I am new to python and I was interested to try AutoNEB. I installed the prerequisites successfully as mentioned. (python 3.8.3 and numpy 1.20.3) I tried python main.py...
