19 skills found
microsoft / MattersimMatterSim: A deep learning atomistic model across elements, temperatures and pressures.
thorben-frank / MlffBuild neural networks for machine learning force fields with JAX
hspark1212 / DAC SIMA molecular simulation package integrating MLFFs in MOFs for DAC
SAITPublic / MLFF FrameworkThis repository is a package to provide SAIT Machine Learning Force Field(MLFF) Framework
samsungDS-PoCs / GAIAGAIA automates the generation of reactive MLIP datasets for atomistic simulations.
gabkrenzer / VaspMDA collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD) and Machine Learning Force Field Moelcular Dynamics (MLFF-MD) calculations using VASP, and post-processing tools. Scripts and files are designed to be easily modified to suit your own objectives.
ClickFF / MAPLEMachine-learning force-field (MLFF)–native molecular modeling platform
WMD-group / MLFFA collection of files related to machine learning force fields
songbingze / MLFF GANNo description available
ishanthewizard / MLFF Distilldistill repo with submoduled fairchem
usnistgov / ChipsffEvaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093
Sona2576 / Mlff Guide ScriptsThis repo hosts guide and scripts for on-the-fly training of Machine Learning Force Fields in VASP
fonsecag / MLFFNo description available
littleyu192 / MLFF TorchNo description available
nlesc-nano / MLFF QDMachine Learning Force Fields for Quantum Dots
ignaciomigliaro / MLFF TrainingThis is a repo that has a collection of codes to parse and train QM data for MLFF training
lr508 / MLFF ScriptsUseful scripts for use with the outputs of VASP 6 (or LAMMPS) MLFF
shawn-zhangxiang / MLFFE ViTNo description available
atomgptlab / IntermatInterface materials design toolkit
