MLTSA
latest
Contents:
Summary of MLTSA’s Modules
Jupyter Notebook Examples
Analytical One-Dimensional model module
Molecular Dynamics Analysis tool for MLTSA
Scikit-Learn Integrated MLTSA module
TensorFlow Integrated MLTSA module
TwoD: application programming interface (API)
Source code functions for the TwoD generation
MLTSA
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Index
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Index
B
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C
|
D
|
E
|
F
|
G
|
L
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M
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O
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P
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S
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T
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U
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V
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Z
B
batch_generator() (generateTraj.generateTraj method)
C
calculate_CVs() (CV_from_MD.MDs method)
classifier() (in module dataprocess)
concatenate() (in module dataprocess)
CV_from_MD
module
,
[1]
CVs (class in CV_from_MD)
D
data_process_full() (in module TwoD_pot_data)
data_processor() (in module TwoD_pot_data)
data_projection() (in module TwoD_pot_data)
data_projector() (in module TwoD_pot_data)
DataGeneration() (OneD_pot_data.potentials method)
dataprocess
module
DataProcess (class in dataprocess)
dataset (class in OneD_pot_data)
define_variables() (CV_from_MD.CVs method)
DefinePotentials() (OneD_pot_data.potentials method)
E
expl_2b_dx() (spiral.potential_spiral method)
expl_2b_dy() (spiral.potential_spiral method)
expl_2b_potential() (spiral.potential_spiral method)
F
filter() (dataprocess.DataProcess method)
G
gen_potential() (OneD_pot_data.potentials method)
gen_traj_langevin() (OneD_pot_data.potentials method)
generate_data() (OneD_pot_data.potentials method)
generate_function() (spiral.potential_spiral method)
generate_linear() (OneD_pot_data.dataset method)
generate_traj() (in module TwoD_pot_data)
generateTraj
module
generateTraj (class in generateTraj)
get_pot_func() (in module TwoD_pot_data)
GetAnswers() (OneD_pot_data.potentials method)
L
label_simulations() (CV_from_MD.MDs method)
M
MDs (class in CV_from_MD)
MLTSA() (in module MLTSA_sk)
(in module MLTSA_tf)
MLTSA_Plot() (in module MLTSA_sk)
(in module MLTSA_tf)
MLTSA_sk
module
,
[1]
MLTSA_tf
module
,
[1]
models
module
,
[1]
module
CV_from_MD
,
[1]
dataprocess
generateTraj
MLTSA_sk
,
[1]
MLTSA_tf
,
[1]
models
,
[1]
OneD_pot_data
,
[1]
projection
spiral
TF_2_LSTM
,
[1]
TF_2_MLP
,
[1]
TF_2_RNN
,
[1]
TF_old_LSTM
,
[1]
TF_old_MLP
,
[1]
TwoD_pot_data
,
[1]
utils
zshape
O
OneD_pot_data
module
,
[1]
P
pickOut() (in module dataprocess)
pot_generator() (in module TwoD_pot_data)
potential_spiral (class in spiral)
potentials (class in OneD_pot_data)
PrepareData() (OneD_pot_data.dataset method)
projection
module
S
show_pot_attributes() (in module TwoD_pot_data)
SKL_Train() (in module models)
spiral
module
T
TF_2_LSTM
module
,
[1]
TF_2_MLP
module
,
[1]
TF_2_RNN
module
,
[1]
TF_old_LSTM
module
,
[1]
TF_old_MLP
module
,
[1]
TwoD_pot_data
module
,
[1]
U
utils
module
V
visualize_3d() (spiral.potential_spiral method)
Z
zshape
module
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