alchemistry.org's repositories
alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
soft-benchmarks
Soft benchmark sets for alchemical free energy calculations, for assessing their accuracy on biomolecular systems
alchemtest
the simple alchemistry test set
fileformat
File formats for free energy calculations, molecular simulations, etc.
benchmarkset
Data sets (and discussion) for testing alchemical calculations
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
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