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luigibonati
/
mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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[nn] add option to take a torch.nn.module to build a nncv
#8
luigibonati
closed
1 year ago
0
[tica] create time lagged dataset does not accept dataframe
#7
luigibonati
closed
2 years ago
0
[nn] Normalization not working after loading model from checkpoint
#6
luigibonati
closed
2 years ago
0
[nn] Fix memory issue on GPU
#5
luigibonati
closed
2 years ago
0
setup documentation
#4
luigibonati
closed
2 years ago
1
scikit-learn style fit and predict
#3
luigibonati
closed
2 years ago
1
DeepTICA cvs
#2
luigibonati
closed
2 years ago
2
Submodules
#1
luigibonati
closed
3 years ago
4
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