srmnitc/pyscal: Support for mdtraj objects and more access functions
- Sarath Menon
- rogalj
- Daniel S. Katz
Publication date
February 2020
DOIAbstract
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
PyBEST is a Pythonic Black-box Electronic Structure Tool, written primarily in the Python programmin...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Set of Python libraries to interface to and enhance the International Research Institute for Climate...
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
This release contains further updates to the code including the ability to calculate solid atoms bas...
This version introduces support for loading ASE Atoms object as an input source for pyscal System. A...
Pytim is a versatile python framework for the analysis of interfacial properties in molecular simula...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
PyBEST is a Pythonic Black-box Electronic Structure Tool, written primarily in the Python programmin...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Set of Python libraries to interface to and enhance the International Research Institute for Climate...
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
Python library written in C++ for calculation of local atomic structural environmen
This release contains further updates to the code including the ability to calculate solid atoms bas...
This version introduces support for loading ASE Atoms object as an input source for pyscal System. A...
Pytim is a versatile python framework for the analysis of interfacial properties in molecular simula...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
PyBEST is a Pythonic Black-box Electronic Structure Tool, written primarily in the Python programmin...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object re...
Set of Python libraries to interface to and enhance the International Research Institute for Climate...
Add to ORKG