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emle-engine

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An engine for electrostatic ML embedding for multiscale modelling.

GPL-2.0 license

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Name		Name	Last commit message	Last commit date
.github/workflows		.github/workflows
bin		bin
demo		demo
doc		doc
emle		emle
tests		tests
.gitattributes		.gitattributes
.gitignore		.gitignore
CITATION.cff		CITATION.cff
LICENSE		LICENSE
README.md		README.md
environment.yaml		environment.yaml
environment_rascal.yaml		environment_rascal.yaml
environment_sire.yaml		environment_sire.yaml
setup.cfg		setup.cfg
setup.py		setup.py
versioneer.py		versioneer.py

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emle-engine

(Mascot courtesy Nictrain123 .)

See the website for full documentation.

We thank EPSRC for funding (grant code EP/V011421/1).

About

An engine for electrostatic ML embedding for multiscale modelling.

GPL-2.0 license

Custom properties

31 stars

4 watching

Report repository

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