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Configurable HTML, Vue, Svelte, Astro, Angular, Jinja, Twig, Nunjucks and Vento formatter with dprint integration.
A library for efficient similarity search and clustering of dense vectors.
Vite plugin to enable Deno resolution inside vite.
Blazing fast linter for JavaScript and TypeScript written in Rust
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
A pymatgen addon for parsing Quantum ESPRESSO files
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
Python library for serializing any arbitrary object graph into JSON. It can take almost any Python object and turn the object into JSON. Additionally, it can reconstitute the object back into Python.
Ray is an AI compute engine. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.
Computing representations for atomistic machine learning
VSCode extension to explore and visualize HDF5 files
GRACE models and gracemaker (as implemented in TensorPotential package)
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside …
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Ab initio simulator for thermal transport and lattice anharmonicity
cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDock, MACE, Allegro and NEQUIP, based on equivariant neural n…
A list of paper templates in the area of machine learning.
FeOs - A Framework for Equations of State and Classical Density Functional Theory
🎡 Build Python wheels for all the platforms with minimal configuration.
A simulation package of phonon-phonon interaction related properties
Heat-conductivity benchmark test for foundational machine-learning potentials