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Starred repositories
Python tool for converting files and office documents to Markdown.
A Python pipeline tool and plugin ecosystem for processing technical documents. Process papers from arXiv, SemanticScholar, PDF, with GROBID, LangChain, listen as podcast. Customize your own pipeli…
A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
A subset of PyTorch's neural network modules, written in Python using OpenAI's Triton.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
A python library and CLI for printing a directory to text particularly in a format suitable for LLM iteractions with code bases.
Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.
Development repository for the Triton language and compiler
[ICML'24] Adsorbate Placement via Conditional Denoising Diffusion
ORB forcefield models from Orbital Materials
Training materials associated with NVIDIA's CUDA Training Series (www.olcf.ornl.gov/cuda-training-series/)
An interactive HTML pretty-printer for machine learning research in IPython notebooks.
Fully typed configuration management, powered by Pydantic.
Flexible and powerful tensor operations for readable and reliable code (for pytorch, jax, TF and others)
Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
Jupyter widget to interactively view molecular structures and trajectories
🎨 A succinct matplotlib wrapper for making beautiful, publication-quality graphics
Bind any function written in another language to JAX with support for JVP/VJP/batching/jit compilation
This unofficial extension integrates Draw.io (also known as diagrams.net) into VS Code.
Unbearably fast near-real-time hybrid runtime-static type-checking in pure Python.
