11 projects
pdf-compressor
CLI + Python API for batch compressing PDFs with iLovePDF.com
pymatgen-io-validation
A comprehensive I/O validator for electronic structure calculations
torch-sim-atomistic
A pytorch toolkit for calculating material properties using MLIPs
tensorboard-reducer
Reduce multiple TensorBoard runs to new event (or CSV) files
pymatviz
A toolkit for visualizations in materials informatics
FireWorks
FireWorks workflow software
matbench-discovery
A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures
format-ipy-cells
Format cells in interactive Python notebooks.
ffonons
A Python package for benchmarking phonon predictions from ML force fields
atomate
atomate has implementations of FireWorks workflows for Materials Science
mma
MMA - Music Midi Accompaniment available as a pip module
