Coudert lab

Pinned Repositories

amof
A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).
Language:Python10 1 11
CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology
Language:Julia40 5 83
elate
ELATE: Elastic tensor analysis
Language:Jupyter Notebook68 11 937
FaEB
Fast Energy Barrier (FaEB) evaluation tool to assess diffusion in nanoporous materials
Language:C++10
GrAED
Grid Adsorption Energy Descriptors
Language:C++10
RAESS
Rapid Adsorption Enthalpy Surface Sampling
Language:C++1 1 00

Coudert lab's Repositories

coudertlab/elate
ELATE: Elastic tensor analysis
Language:Jupyter Notebook68 11 937
coudertlab/CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology
Language:Julia40 5 83
coudertlab/amof
A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).
Language:Python10 1 11
coudertlab/CoRE-MOF
CoRE-MOF as a Python package
Language:Python6 1 0
coudertlab/FaEB
Fast Energy Barrier (FaEB) evaluation tool to assess diffusion in nanoporous materials
Language:C++10
coudertlab/GrAED
Grid Adsorption Energy Descriptors
Language:C++10
coudertlab/RAESS
Rapid Adsorption Enthalpy Surface Sampling
Language:C++1 1 00
coudertlab/simple-adsorption-workflow
Language:Jupyter Notebook