Datasets:

Duplicated from Kai-Zhu-2001/SelfTICA

Anny0316
/

SelfTICA

Tags:

molecular-dynamics

enhanced-sampling

collective-variables

self-supervised-learning

graph-neural-networks

computational-chemistry

License:

Dataset card Files Files and versions

SelfTICA / chignolin

18.1 GB

2 contributors

History: 1 commit

Anny0316's picture

Duplicate from Kai-Zhu-2001/SelfTICA

ff0f77d 15 days ago

data
Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago
models
Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago
run_biased_explore
Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago
plumed-desctiptors.dat
Pickle imports
- No problematic imports detected
What is a pickle import?
6.98 kB
Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago