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Create new MOFs by combining generative AI and simulation on HPC
A Python library for parsing and handling data exported by TA Instruments' TRIOS JSON Export
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
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.
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.
The modern API client that lives in your terminal.
