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Three-dimensional force fields fingerprints

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Name		Name	Last commit message	Last commit date
Latest commit History 9 Commits
data		data
model		model
LICENSE		LICENSE
README.md		README.md
__init__.py		__init__.py
trainer.py		trainer.py

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TF3P

Three-dimensional force fields fingerprints

The trained models are available on https://disk.pku.edu.cn:443/link/970F2AA574ECAA785885A6616850047A

Ref: https://pubs.acs.org/doi/10.1021/acs.jcim.0c00005