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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
xet
Community
SelfTICA / chignolin /data
999 kB
  • 2 contributors
History: 1 commit
Anny0316's picture
Anny0316
Duplicate from Kai-Zhu-2001/SelfTICA
ff0f77d 15 days ago
  • charmm22star.ff
    Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago
  • chignolin-ca.pdb
    13.2 kB
    Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago
  • chignolin-ref.pdb
    13.2 kB
    Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago
  • chignolin.gro
    406 kB
    Duplicate from Kai-Zhu-2001/SelfTICA 15 days ago