10 projects
pymatviz
A toolkit for visualizations in materials informatics
pymatgen
Python Materials Genomics is a robust materials analysis code that defines core object representations for structures
matbench-discovery
A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures
pymatgen-io-validation
A comprehensive I/O validator for electronic structure calculations
format-ipy-cells
Format cells in interactive Python notebooks.
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
