pyiron / pyiron_baseLinks
Core components of the pyiron integrated development environment (IDE) for computational materials science
☆23Updated this week
Alternatives and similar repositories for pyiron_base
Users that are interested in pyiron_base are comparing it to the libraries listed below
Sorting:
- Up-scale python functions for high-performance computing (HPC)☆52Updated this week
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week
- High throughput workflows and automation for HPC☆82Updated 3 months ago
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- A jupyter widget to select chemical elements from the periodic table.☆16Updated 7 months ago
- Workflow management for signac-managed data spaces.☆48Updated 2 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated last month
- Manage large and heterogeneous data spaces on the file system.☆135Updated this week
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆82Updated 2 weeks ago
- Python Interface to the Data and Learning Hub for Science☆28Updated 2 years ago
- jobflow is a library for writing computational workflows.☆111Updated last week
- funsies is a lightweight workflow engine 🔧☆41Updated 4 years ago
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆39Updated last week
- A JupyterLab launcher extension to view the molecular orbitals.☆19Updated last year
- ☆30Updated this week
- Examples for the freud library.☆14Updated last week
- ☆14Updated 2 years ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆31Updated this week
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆85Updated 4 months ago
- Graph-and-node based workflows☆21Updated this week
- ☆35Updated last month
- Data structures, algorithms, and parsing for crystallography☆51Updated 8 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆26Updated this week
- High-Throughput Computational Physics Framework☆13Updated 7 years ago
- Library for Green’s function based electronic structure theory calculations☆27Updated 4 months ago
- ☆19Updated this week
- Repo for a DOE HPC workflow training event☆13Updated 2 years ago
- 📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution func…☆31Updated this week
- An AiiDA plugin for dynamically defining workflows using Python functions☆17Updated 3 years ago
- SciPy fixes and extensions☆19Updated 3 years ago