Pinned Repositories
ClusterAnalysis
A python package for cluster analysis.
Computational-Materials-Science
Useful tools and scripts developed for computational materials science research.
DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
icp
iterative closest point
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Li2O
Li3N
Data repository for the Li3N paper.
public-docs
The latest documentation for the Materials Project.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
quacc
A flexible platform for high-throughput, database-driven computational materials science and quantum chemistry.
exenGT's Repositories
exenGT/ClusterAnalysis
A python package for cluster analysis.
exenGT/Computational-Materials-Science
Useful tools and scripts developed for computational materials science research.
exenGT/DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
exenGT/icp
iterative closest point
exenGT/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
exenGT/Li2O
exenGT/Li3N
Data repository for the Li3N paper.
exenGT/public-docs
The latest documentation for the Materials Project.
exenGT/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
exenGT/quacc
A flexible platform for high-throughput, database-driven computational materials science and quantum chemistry.
exenGT/science_tools
My first science tools repo!
exenGT/SQSgen
An SQS generator for pseudobinary alloys.
exenGT/vlb
VIm learning bible