alchemlyb
0.4.1
User Documentation
Installing alchemlyb
Parsing data files
Preprocessing datasets
Using estimators to obtain free energies
Visualisation of the results
For Developers
API principles
alchemlyb
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Index
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A
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B
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D
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M
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P
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S
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T
_
__init__() (alchemlyb.estimators.BAR method)
(alchemlyb.estimators.MBAR method)
(alchemlyb.estimators.TI method)
A
alchemlyb.parsing.amber
module
alchemlyb.parsing.gmx
module
alchemlyb.parsing.gomc
module
alchemlyb.parsing.namd
module
alchemlyb.preprocessing.subsampling
module
B
BAR (class in alchemlyb.estimators)
D
d_delta_f_ (alchemlyb.estimators.BAR attribute)
(alchemlyb.estimators.MBAR attribute)
(alchemlyb.estimators.TI attribute)
delta_f_ (alchemlyb.estimators.BAR attribute)
(alchemlyb.estimators.MBAR attribute)
(alchemlyb.estimators.TI attribute)
dhdl (alchemlyb.estimators.TI attribute)
M
MBAR (class in alchemlyb.estimators)
module
alchemlyb.parsing.amber
alchemlyb.parsing.gmx
alchemlyb.parsing.gomc
alchemlyb.parsing.namd
alchemlyb.preprocessing.subsampling
P
plot_convergence() (in module alchemlyb.visualisation)
plot_dF_state() (in module alchemlyb.visualisation)
plot_mbar_overlap_matrix() (in module alchemlyb.visualisation)
plot_ti_dhdl() (in module alchemlyb.visualisation)
S
states_ (alchemlyb.estimators.BAR attribute)
(alchemlyb.estimators.MBAR attribute)
(alchemlyb.estimators.TI attribute)
T
theta_ (alchemlyb.estimators.MBAR attribute)
TI (class in alchemlyb.estimators)
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v: 0.4.1
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