Pinned Repositories
awesome-materials-informatics
Curated list of known efforts in materials informatics = modern materials science
gptchem
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
so3lr
SO3krates and Universal Pairwise Force Field for Molecular Simulation
ParaMol
A Package for Parametrization of Molecular Mechanics Force Fields
FeNNol
Force-field-enhanced Neural Networks optimized library
LCMelt
asoyemi1's Repositories
asoyemi1/awesome-materials-informatics
Curated list of known efforts in materials informatics = modern materials science
asoyemi1/gptchem