Stars
The official GitHub repository for the Mathematics of Machine Learning book!
The Monte Carlo Distribution Function Method (MC-DFM) is applied to model the small angle scattering curves of large biomolecular assemblies.
A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accelerate scientific discovery.
new modular data corrections for any neutron or xray technique that produces 1D or 2D scattering/diffraction/imaging data
XRayScatterPy is a Python package for processing and analyzing x-ray scattering, grazing incidence x-ray scattering (GISAXS), and x-ray reflectivity data.
A simple caproto-based IOC for setting, triggering and collecting data to files from the Dectris Eiger detectors
Thermodynamically Explainable Representations of AI and other black-box Paradigms
A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
Tools for processing SAXS data. Mostly geared towards data from Xenocs instrument
Transforming a 3D printer (Ender 3) kit to a set of syringe pumps
A python and EPICS interface for Trinamic TMCL-speaking motor controller boards, controlled over serial-over-ethernet
Collection of codes for reproducibility from published research
Software for running the Chemputer in association with the supporting publication in Science
jldesmear: Jemian-Lake Desmearing for Small-Angle Scattering (Python version)
A curated list of Python packages related to chemistry
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…
Chemios Framework 👨🏾🔬: Accelerating Science through Automation
The automation software that powers the NIST Autonomous Formulation Lab! A flexible, web-based backend for device integration, drivers for some devices we've found useful, and glue that makes the A…
Refactored McSAS for analysis of X-ray and neutron scattering data
ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-read…
Supporting code for the "Autonomous retrosynthesis of gold nanoparticles via spectral shape matching" paper. DOI : 10.1039/D2DD00025C