10 projects
pymatgen-io-validation
A comprehensive I/O validator for electronic structure calculations
pymatgen
Python Materials Genomics 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 (https://materialsproject.org).
format-ipy-cells
Format cells in interactive Python notebooks.
pymatviz
A toolkit for visualizations in materials informatics
matbench-discovery
A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures
ffonons
A Python package for benchmarking phonon predictions from ML force fields
tensorboard-reducer
Reduce multiple TensorBoard runs to new event (or CSV) files
atomate
atomate has implementations of FireWorks workflows for Materials Science
pdf-compressor
CLI + Python API for batch compressing PDFs with iLovePDF.com
FireWorks
FireWorks workflow software