9 projects
alchemiscale
None
alchemlyb
the simple alchemistry library
qcengine
A compute wrapper for Quantum Chemistry.
alchemtest
the simple alchemistry test set
datreant
persistent, pythonic trees for heterogeneous data
taproom
datreant.data
convenient data storage and retrieval in HDF5 for Treants
datreant.core
persistent, pythonic trees for heterogeneous data
mdsynthesis
a persistence engine for molecular dynamics data
