11 projects
fairchem-core
Machine learning models for chemistry and materials science by the FAIR Chemistry team
fairchem-data-odac
Code for ODAC MOF configurations and VASP input sets for direct air capture
fairchem-lammps
Fairchem extension package to use LAMMPs with fairchem models
fairchem-data-omc
Code for generating OMC VASP inputs
fairchem-data-omat
Code for generating omat24 input configurations and vasp input sets
fairchem-data-omol
Code for generating OMOL input configurations
fairchem-data-oc
Code for generating adsorbate-catalyst input configurations
fairchem-applications-cattsunami
Accelerating Transition State Energy Calculations with Pre-trained Graph Neural Networks
smol
Lighthweight but caffeinated Python implementation of computational methods for statistical mechanical calculations of configurational states in crystalline material systems.
fairchem-demo-ocpapi
Python client library for the Open Catalyst API
sparse-lm
Sparse linear regression models
