ColabFit

Docs

File Usage

Parquet Files

Parquet File Schema

Dataset Schema Configuration Set Schema Configuration ↔ Set Map Configuration Schema

Content Notes

Units Methods

Submit / Request Data

Tools

ColabFit MCP ColabFit Data Standard ColabFit-CLI ColabFit-Tools KLay KLIFF KLIFF-Torch KUSP Libdescriptor

About

About the Exchange Leadership & Funding ColabFit Team

Discover, explore, and share datasets for data-driven interatomic potentials.

ColabFit Exchange

The ColabFit Exchange: Data for Advanced Materials Science

For more information, please contact the team at support@colabfit.org.

Contribute

Submit/request data
Found an error? Raise an issue

Tools

ColabFit MCP
ColabFit tools
ColabFit Data Standard
KLIFF
KLIFF-Torch
Libdescriptor

About

About ColabFit
Exchange
Leadership and
Funding
ColabFit Team
Consortium

Contact

The ColabFit project is supported by NSF funding

ColabFit is a KIM Initiative project

ColabFit is hosted on resources provided by NYU's High Speed Research Network (HSRN)