文件名称：msm_test:使用MSMBuilder测试msm
文件大小：1019.53MB
文件格式：ZIP
更新时间：2024-05-30 06:17:11
JupyterNotebook
msm_test 使用测试msm
【文件预览】：
msm_test-master
----.gitignore(702B)
----README.md(84B)
----sang()
--------unliganded.pdb(309KB)
--------liganded.pdb(309KB)
----examples()
--------quadwell.ipynb(19KB)
--------tica-example.ipynb(6KB)
--------hmm-and-msm.ipynb(46KB)
--------.ipynb_checkpoints()
--------uncertainty.ipynb(114KB)
--------implied-timescales.ipynb(44KB)
--------cluster-comparison.ipynb(751KB)
--------plot-tica-heatmap.ipynb(30KB)
--------gmrq-model-selection.ipynb(39KB)
--------bayesian-msm.ipynb(153KB)
--------quadwell-n-states.ipynb(15KB)
----LICENSE(11KB)
----pics()
--------msm_flow.png(104KB)
--------msm.png(175KB)
----TPT.ipynb(616B)
----bound_trajs()
--------liganded_9.pdb(30.46MB)
--------liganded_1.pdb(30.46MB)
--------liganded_8.pdb(30.46MB)
--------liganded_8.xtc(72.93MB)
--------liganded_12.xtc(72.92MB)
--------liganded_5.xtc(72.93MB)
--------liganded_7.pdb(30.46MB)
--------liganded_11.xtc(72.06MB)
--------liganded_3.xtc(71.19MB)
--------liganded_4.xtc(72.05MB)
--------liganded_1.xtc(72.93MB)
--------liganded_2.pdb(30.46MB)
--------liganded_9.xtc(72.93MB)
--------liganded_11.pdb(30.46MB)
--------liganded_3.pdb(30.46MB)
--------liganded_5.pdb(30.46MB)
--------liganded_13.pdb(30.46MB)
--------liganded_10.xtc(72.93MB)
--------liganded_4.pdb(30.46MB)
--------liganded_7.xtc(72.93MB)
--------liganded_6.xtc(72.05MB)
--------liganded_13.xtc(72.93MB)
--------liganded_2.xtc(72.93MB)
--------liganded_6.pdb(30.46MB)
--------liganded_12.pdb(30.46MB)
--------bound.pdb(309KB)
--------liganded_10.pdb(30.46MB)
----.ipynb_checkpoints()
--------compared-checkpoint.ipynb(3KB)
--------within-checkpoint.ipynb(23KB)
--------MSMs-checkpoint.ipynb(59KB)
--------uncertainty-checkpoint.ipynb(32KB)
--------mdtraj_clustering-checkpoint.ipynb(11KB)
----uncertainty.ipynb(32KB)
----MSMs.ipynb(59KB)
----compared.ipynb(3KB)
----within.ipynb(23KB)
----funs()
--------.ipynb_checkpoints()
--------SuperposeFeaturizer.ipynb(2KB)
--------MarkovStateModel.ipynb(6KB)
----workflow.ipynb(2KB)
----mdtraj_clustering.ipynb(11KB)