Implementation of Koopmans-compliant functionals in Quantum ESPRESSO

⚡ TabPFN: Foundation Model for Tabular Data ⚡

Unofficial Bitwarden compatible server written in Rust, formerly known as bitwarden_rs

Nix Flake for Claude Desktop on Linux

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crystals.

Featurizer that uses pretrained graph-neural networks to extract information from materials structures.

A vector search SQLite extension that runs anywhere!

tomato driver for Alicat mass flow controllers

James Gleick's Chaos: The Software

The /llms.txt file, helping language models use your website

Main code for planning, executing, and analysing experiments performed in the synthesis bots autonomous chemistry workflows.

High accuracy RAG for answering questions from scientific documents with citations

This repo includes documentation for public viewing regarding the Admiral Instruments API.

Code for automated fitting of machine learned interatomic potentials.

Further development of FINALES

In-situ catalysis XAS data manipulation and analysis package for data collected at SSRL using the CXAS software

extract and tweak data from electrochemical tests of cells

A tool for automated extraction of equivalent circuit models (ECM) from electrochemical impedance spectroscopy (EIS) data

interactive & hardware agnostic SDK for lab automation

ORB forcefield models from Orbital Materials

Type annotations for specifying, validating, and serializing arrays with arbitrary backends in Pydantic (and beyond)

Repository for Project Chameleon conversion scripts

🔍 A Hex Editor for Reverse Engineers, Programmers and people who value their retinas when working at 3 AM.

A data management platform for the web

The modern API client that lives in your terminal.

Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions"