Loch | Anaconda.org

openbiosim / packages / loch 2025.1.0

0

CUDA accelerated Grand Canonical Monte Carlo (GCMC) water sampling code.

License: GPL-3.0-or-later
Home: https://github.com/openbiosim/loch
Development: https://github.com/openbiosim/loch
Documentation: https://github.com/openbiosim/loch
54 total downloads
Last upload: 6 days and 11 hours ago

Installers

linux-64 v2025.1.0

conda install

To install this package run one of the following:
conda install openbiosim::loch
conda install openbiosim/label/dev::loch

Description

CUDA accelerated Grand Canonical Monte Carlo (GCMC) water sampling code. Built on top of Sire, BioSimSpace, and OpenMM.

To install:

conda install -c conda-forge -c openbiosim loch

To install the development version:

conda install -c conda-forge -c openbiosim/label/dev loch

When updating the development version it is generally advised to update Sire at the same time:

conda install -c conda-forge -c openbiosim/label/dev loch sire

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