EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

原论文及其GitHub链接The EquiBind GitHub 和论文.

Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
commons		commons
configs_clean		configs_clean
data		data
data_preparation		data_preparation
datasets		datasets
models		models
runs		runs
trainer		trainer
.fig_intro.jpg		.fig_intro.jpg
.gitattributes		.gitattributes
.gitignore		.gitignore
.model2.jpg		.model2.jpg
LICENSE		LICENSE
README.md		README.md
ResearchReport.pdf		ResearchReport.pdf
citation.txt		citation.txt
environment.yml		environment.yml
environment_cpuonly.yml		environment_cpuonly.yml
inference.py		inference.py
multiligand_inference.py		multiligand_inference.py
train.py		train.py
with_vina.py		with_vina.py

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