alchemlyb
User Documentation
Installing alchemlyb
Installing from source
Parsing data files
Standard forms of raw data
Parsers by software package
Preprocessing datasets
Subsampling
Using estimators to obtain free energies
TI-based estimators
FEP-based estimators
For Developers
API Proposal
alchemlyb
Core philosophy
API components
Development model
alchemlyb
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v: 0.1.0
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