VectorInstitute / AtomGen

Library for handling atomistic graph datasets focusing on transformer-based implementations. It provides utilities for training various models, experimenting with different pre-training tasks, and a suite of pre-trained models with huggingface integrations.

Home Page:https://vectorinstitute.github.io/AtomGen/

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

VectorInstitute/AtomGen Stargazers