9 projects
ml-peg
ML Performance and Extrapolation Guide
lavello_mlips
A Python package for processing omol-25 data using MPI.
janus-core
Tools for machine learnt interatomic potentials
pack-mm
packing materials and molecules in boxes using for machine learnt interatomic potentials
data-collections-api
API for depositing and retrieving from PSDI data collections repository
aiida-mlip
Machine learning interatomic potentials AiiDA plugin
data-tutorials
download data for tutorials
dlpoly-py
dlpoly4 python module for file manipulation
opk
Open Programmatic Keycap
