learningmatter-mit/VOID
Library to dock molecules in crystal structures, including nanoporous materials
PythonMIT
Issues
- 0
Docker container
#10 opened by rsdmse - 0
RuntimeError: get_voronoi_nodes requires Zeo++ cython extension to be installed. Please contact developers of Zeo++ to obtain it.
#9 opened by feacluster - 3
ImportError: cannot import name 'which'
#8 opened by feacluster - 1
- 4
pymatgen installation help
#5 opened by cwaitt - 1
Installation help
#4 opened by liangheng75 - 9
Gcc errors when compiling Zeo++
#2 opened by feacluster - 0
conda create -n VOID python=3.7 numpy networkx pymatgen>=2020.3.2 scikit-learn -c conda-forge hangs
#3 opened by feacluster