pyiron / pyiron_baseLinks
Core components of the pyiron integrated development environment (IDE) for computational materials science
☆24Updated 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)☆68Updated 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☆83Updated 6 months ago
- Graph-and-node based workflows☆22Updated last week
- A jupyter widget to select chemical elements from the periodic table.☆16Updated 11 months ago
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆39Updated this week
- jobflow is a library for writing computational workflows.☆116Updated last week
- Manage large and heterogeneous data spaces on the file system.☆137Updated last week
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆82Updated last week
- ☆37Updated last month
- Workflow management for signac-managed data spaces.☆48Updated 5 months ago
- Simmate is a full-stack framework for chemistry research.☆36Updated this week
- Repo for a DOE HPC workflow training event☆13Updated 2 years ago
- funsies is a lightweight workflow engine 🔧☆41Updated 4 years ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆31Updated last week
- Numerically tolerant end-to-end test library for research software.☆25Updated 7 months ago
- ☆14Updated 2 years ago
- Python Interface to the Data and Learning Hub for Science☆28Updated 2 years ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆85Updated this week
- A NOMAD plugin containing base sections for material processing.☆11Updated 5 months ago
- 📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution func…☆32Updated this week
- Data structures, algorithms, and parsing for crystallography☆52Updated last year
- ☆30Updated last week
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆27Updated this week
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated last month
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Updated 3 months ago
- Project to setup and analyze interface calculations using density functional theory.☆23Updated 4 months ago
- Library for steering campaigns of simulations on supercomputers☆59Updated 7 months ago
- Implements core functions for AiiDAlab.☆17Updated last week