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esalx / packages / molli v1.2.1

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Molecular Library Toolkit

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License: MIT
Home: https://github.com/SEDenmarkLab/molli
Development: https://github.com/SEDenmarkLab/molli
Documentation: https://molli.readthedocs.io/en/latest/
237 total downloads
Last upload: 4 months and 28 days ago

Installers

Info: This package contains files in non-standard labels.

linux-64 vv1.2.1
osx-arm64 vv1.2.1
win-64 vv1.2.1

conda install

To install this package run one of the following:
conda install esalx::molli
conda install esalx/label/dev::molli
conda install esalx/label/test::molli

Description

Molli is a toolbox that allows storage and fast manipulations of full molecule and conformer ensembles. This project takes advantage of numpy mathematics in its core, as well as binary information storage. Molli offers a convenient interface to familiar chemical concepts such as Atom, Molecule, ConformerEnsemble, etc. See README.md for more details.

esalx / packages / molli v1.2.1 0

Installers

conda install

Description

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esalx / packages / molli v1.2.1

0