Index

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)

E

equilibrium_detection() (in module alchemlyb.preprocessing.subsampling) extract_dHdl() (in module alchemlyb.parsing.amber) (in module alchemlyb.parsing.gmx) (in module alchemlyb.parsing.gomc)

extract_u_nk() (in module alchemlyb.parsing.amber) (in module alchemlyb.parsing.gmx) (in module alchemlyb.parsing.gomc) (in module alchemlyb.parsing.namd)

F

fit() (alchemlyb.estimators.BAR method) (alchemlyb.estimators.MBAR method) (alchemlyb.estimators.TI method)

G

get_params() (alchemlyb.estimators.BAR method) (alchemlyb.estimators.MBAR method) (alchemlyb.estimators.TI method)

M

MBAR (class in alchemlyb.estimators)

S

set_params() (alchemlyb.estimators.BAR method) (alchemlyb.estimators.MBAR method) (alchemlyb.estimators.TI method) slicing() (in module alchemlyb.preprocessing.subsampling)

states_ (alchemlyb.estimators.BAR attribute) (alchemlyb.estimators.MBAR attribute) (alchemlyb.estimators.TI attribute) statistical_inefficiency() (in module alchemlyb.preprocessing.subsampling)

T

theta_ (alchemlyb.estimators.MBAR attribute)

TI (class in alchemlyb.estimators)