Stars
Symbolic computations with second quantized operators
SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
Smalls CLIs to get a bibtex entries from a DOI, an arXiv ID or a PubMed ID and to pretty print bibtex entries (or files)
A reactive notebook for Python — run reproducible experiments, query with SQL, execute as a script, deploy as an app, and version with git. Stored as pure Python. All in a modern, AI-native editor.
A high-performance toolkit for quantum and classical chemistry calculations.
React OPTIMADE client
Unified frontend for MC3D and MC2D
⚛️ A module for solving and visualizing the Schrödinger equation.
Automated all-functionals infrared and Raman spectra, and phonons.
Lightweight fast function pipeline (DAG) creation in pure Python for scientific (HPC) workflows 🕸️🧪
A wireguard client GUI for Linux made with nextauri
A Python solver for the 1D Schrodinger equation
A React component to explore AiiDA provenance
AiiDA plugin that makes running shell commands easy.
A gateway for querying OPTIMADE APIs.
Specification of a common REST API for access to materials databases
AiiDA Web API for data queries and workflow management.
A massively parallel, high-level programming language
Tools for making OPTIMADE APIs from various formats of structural data (e.g. an archive of CIF files).
Find Inspiration in Design Elements.
Template for Python Projects
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF)