published Published 2 days ago
pynxtools: A Python framework for generating and validating NeXus files in experimental data workflows
Python Jinja Jupyter Notebook
published Published about 1 month ago
AutoEmulate: A PyTorch tool for end-to-end emulation workflows
Python Jupyter Notebook
published Published about 2 months ago
FIRECODE: A Computational Chemistry Workflow Driver and Modular Hub
Python
published Published about 2 months ago
Flexible Metadata Annotation for Agent-based Energy System Models
Python
published Published 5 months ago
AOC: A Snakemake workflow for the characterization of natural selection in protein-coding genes
Python HyPhy
published Published 5 months ago
SPARC: An Automated Workflow Toolkit for Accelerated Active Learning of Reactive Machine Learning Interatomic Potentials
Python
published Published 7 months ago
ArviZ: a modular and flexible library for exploratory analysis of Bayesian models
Python
published Published 8 months ago
aiida-aimall: A Python package for automating workflows for AIMAll software
Python
published Published 9 months ago

