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PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integrated with ATAT and CALPHAD modeling. Includes tools for stru…
Disorder paper code with updated classification of orbits and Monte Carlo entropy calculation
React Flow | Svelte Flow - Powerful open source libraries for building node-based UIs with React (https://reactflow.dev) or Svelte (https://svelteflow.dev). Ready out-of-the-box and infinitely cust…
macromolecular crystallography library and utilities
An interactive structure/property explorer for materials and molecules
DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
This repo tracks the opened and merged PRs by the top SWE coding agents by OpenAI, GitHub, and others. Updates every 3 hours.
A simple Python API that can interact with datalab instances.
Specification of a common REST API for access to materials databases
Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron
⚡ Fast, async, stream-based link checker written in Rust. Finds broken URLs and mail addresses inside Markdown, HTML, reStructuredText, websites and more!
An extremely fast Python type checker and language server, written in Rust.
Self-describing sparse tensor data format for atomistic machine learning and beyond
3D Plotting Package for Typst using CeTZ. Similar functionality to pgfplots for LaTeX.
remark plugin to support directives
GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
Atomistic machine learning models you can use everywhere for everything
Force-directed graph layout using velocity Verlet integration.
Parse, Resolve, and Dereference JSON Schema $ref pointers in Node and browsers
Compile JSON Schema to TypeScript type declarations
Create, manage, and run Jupyter notebooks with their dependencies