Physical Sciences Data Infrastructure (PSDI)
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aiida-with-gromacs
aiida-with-gromacs PublicThis repository contains docker build images for a multiarch container that is designed to simplify the process of using AiiDA and GROMACS
Dockerfile
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aiida-testbase
aiida-testbase PublicThis repository contains the a base image for building a test environment with python, conda, and mamba installed for use with testing aiida plugins.
Dockerfile 1
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aiida-mlip
aiida-mlip PublicForked from stfc/aiida-mlip
machine learning interatomic potentials aiida plugin
Python
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Repositories
Showing 10 of 19 repositories
- dlmonte-container Public
- data-transfer-container Public
- ccpnc-database Public Forked from CCP-NC/ccpnc-database
PSDI-UK fork copy of CCP-NC magres database repository
- Moodle_install_test Public