brendenpelkie

AFL-hardware-devel

Hardware designs and #openscience widgets for use with the NIST Autonomous Formulation Laboratory

llm-tutorial

Tutorial on LLMs and agents

specclient

project-noisy-nerds

project-project-noisy-nerds created by GitHub Classroom

simulator-aspire-poc

poseidon

poseidon system - open source syringe pumps and microscope for laboratories

pizero_bikecomputer

An open source bike computer based on Raspberry Pi Zero (W, WH, 2W) with GPS and ANT+. Including offline map and navigation.

LLM_organic_synthesis

AresLib

Cleaned-up version of ARES OS Core 2.0 (2021) without UI

awesome-compbio-chatgpt

An awesome repository of community-curated applications of ChatGPT and other LLMs im computational biology

opil

The Open Protocol Interface Language (OPIL) is intended as a standard language for protocol interfaces

self-driving-lab-demo

Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive design algorithm, as well as extensions to liquid- and solid-based color matching demos.

nomad

NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.

graphster

spark-based library that helps construct and query knowledge graphs from unstructured and structured data

Ontopanel-frontend

Diagrams.net plugin for ontology development. Frontend of Ontopanel application

pylabrobot

An interactive & hardware agnostic interface for lab automation

helao-pub

hierachical automation of the natural sciences

MSEO

Repository of Material Science and Engineering Ontology MSEO

ESCALATE

ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-readable experiment specification, comprehensive and extensible (meta-)data capture, and structured data reporting.

ESCALATE

ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-readable experiment specification, comprehensive and extensible (meta-)data capture, and structured data reporting.

gpxstudio.github.io

The online GPX file editor

qml

QML: Quantum Machine Learning

TransVAE

A Transformer Based VAE Architecture for De Novo Molecular Design

molml

A library to interface molecules and machine learning.

fairchem

FAIR Chemistry's library of machine learning methods for chemistry

xyz2mol

Converts an xyz file to an RDKit mol object

chimes_calculator

Tools to interface ChIMES with various external codes.

SISSO

A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.

fireworks

The Fireworks Workflow Management Repo.