ElliottKasoar/aiida-mlip
machine learning interatomic potentials aiida plugin
Repositories
ElliottKasoar/janus-core
ElliottKasoar/ml-peg
ElliottKasoar/grace-tensorpotential
GRACE models and gracemaker (as implemented in TensorPotential package)
ElliottKasoar/aiida-pythonjob
Run Python functions on a remote computer.
ElliottKasoar/node-graph
Create node-based workflow with data provenance
ElliottKasoar/codecarbon
Track emissions from Compute and recommend ways to reduce their impact on the environment.
ElliottKasoar/aiida-workgraph
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
ElliottKasoar/aseMolec
ElliottKasoar/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
ElliottKasoar/abcd
ElliottKasoar/phonopy
Phonon code
ElliottKasoar/janus-web
Web app for janus-core
ElliottKasoar/typer-config
Utilities for working with configuration files in typer CLIs.
ElliottKasoar/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
ElliottKasoar/janus-tutorials
ElliottKasoar/FTorch
A library for directly calling PyTorch ML models from Fortran.
ElliottKasoar/FTorch-benchmarks
Benchmarking for the fortran-pytorch-lib against forpy (disconnected form MiMA)
ElliottKasoar/ss23-git
Repository for the GitHub talk in ICCS Summer School '23.
ElliottKasoar/gene-dag-vae
ElliottKasoar/cloud-provider-openstack
ElliottKasoar/libvirt-go
Read-only mirror. Please submit merge requests / issues to https://gitlab.com/libvirt/libvirt-go
ElliottKasoar/landscape
🌄The Cloud Native Interactive Landscape filters and sorts hundreds of projects and products, and shows details including GitHub stars, funding or market cap, first and last commits, contributor counts, headquarters location, and recent tweets.
ElliottKasoar/st2-cloud-pack
A bespoke pack for SCD Cloud containing elements for managing Openstack and supporting infrastructure
ElliottKasoar/fortran
ElliottKasoar/cloud-docs
Documentation Repository for the STFC Cloud.
ElliottKasoar/hello-numerical-world-2021-11-15-sc
Code repository for SC21 hands-on activities
ElliottKasoar/planets
A study for planetary data
ElliottKasoar/ssm
Secure STOMP Messenger.
ElliottKasoar/gocdb
Grid Operations Configuration Management Database. A Repository, Portal and REST style API for managing Grid and Cloud topology objects including; projects, administrative domains, sites, services, service-endpoints, service-groups, downtimes, users, roles and business rules.