Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well. It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles). New force fields and examples are added continually by users. NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation. Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate.

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Avatar for jewettaij from gravatar.com jewettaij

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Author: Andrew Jewett

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simulation LAMMPS molecule editor molecule builder ESPResSo

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Key dates

PyPI data
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  • Released:
Latest release

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for jewettaij from gravatar.com jewettaij

Credits

Author: Andrew Jewett

License

MIT License (MIT)

Tags

simulation LAMMPS molecule editor molecule builder ESPResSo

Classifiers

Report project as malware

Release files for moltemplate 2.22.5

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Source distribution for moltemplate 2.22.5
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moltemplate-2.22.5-py3-none-any.whl 1.2 MB Python 3 none any Details

Total release size: 2.3 MB

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