Daniel Hollas's repositories
aiida-core
The official repository for the AiiDA code
aiida-orca
AiiDA Plugin for ORCA
aiidalab-dev
Development utilities for AiiDAlab
aiidalab-docker-stack
Docker image with the basic software stack for the AiiDAlab
aiidalab-feedstock
A conda-smithy repository for aiidalab.
aiidalab-home
AiiDAlab Home App
aiidalab-launch
Tool to launch AiiDAlab on a local workstation.
aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
aiidalab-registry
Central app registry for AiiDAlab
aiidalab-widgets-base
Reusable widgets for AiiDAlab applications
erlang-feedstock
A conda-smithy repository for erlang.
fanoci-core
An investigaction of performance of FANOCI for core ionized initial states, with particular focus on solvated lithium cation
fprettify
auto-formatter for modern fortran source code
GMM-NEA
Fully functional version of the algorithm to reconstruct the NEA spectra using both auto-$\delta$ and GMM-NEA
harmonwig
Harmonic Wigner sampling of molecules from ab initio QM calculations
kickstart.nvim
A launch point for your personal nvim configuration
mlp-train
MLP training for molecular systems
pre-commit
A framework for managing and maintaining multi-language pre-commit hooks.
python-fastjsonschema
Fast JSON schema validator for Python.
tcpb-client
Python client for TeraChem's protobuf server mode
TheArtofHPC_pdfs
All pdfs of Victor Eijkhout's Art of HPC books and courses
voila-optimade-client
Import structures in AiiDA lab using OPTIMADE