gusarovs's repositories
read-gaussian-cube
Program used to read Gaussian cube file.
ANI1_dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
Language:PythonMIT000
moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Language:PythonNOASSERTION000
oplsaa-moltemplate
propane united atom with oplsaa_moltemplate.py fix
Language:Python000
qetools
some tools for QE
Language:Shell000