QMP

The official github for AAAI 2024 paper "A Plug-and-Play Quaternion Message-Passing Module for Molecular Conformation Representation"

Name		Name	Last commit message	Last commit date
Latest commit History 4 Commits
methods		methods
utils		utils
README.md		README.md
main.py		main.py
q_dimenetpp_md17benzene_checkpoint.pt		q_dimenetpp_md17benzene_checkpoint.pt
q_schnet_md17benzene_checkpoint.pt		q_schnet_md17benzene_checkpoint.pt
q_spherenet_md17benzene_checkpoint.pt		q_spherenet_md17benzene_checkpoint.pt

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