Physical Sciences Data Infrastructure (PSDI)
- 10 followers
- United Kingdom
- http://www.psdi.ac.uk
- @PSDI_UK
- company/psdiuk
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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
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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
- aiida-testbase Public
This repository contains the a base image for building a test environment with python, conda, and mamba installed for use with testing aiida plugins.
PSDI-UK/aiida-testbase’s past year of commit activity - ccpnc-database Public Forked from CCP-NC/ccpnc-database
PSDI-UK fork copy of CCP-NC magres database repository
PSDI-UK/ccpnc-database’s past year of commit activity - aiidalab-docker-stack Public Forked from aiidalab/aiidalab-docker-stack
Docker images with the basic software stack for AiiDAlab
PSDI-UK/aiidalab-docker-stack’s past year of commit activity - aiida-with-gromacs Public
This repository contains docker build images for a multiarch container that is designed to simplify the process of using AiiDA and GROMACS
PSDI-UK/aiida-with-gromacs’s past year of commit activity
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