lzhengchun / BraggNN
Faster X-ray Bragg Peak Analysis with Deep Learning
☆14Updated 2 years ago
Related projects: ⓘ
- Library for steering campaigns of simulations on supercomputers☆46Updated 2 weeks ago
- Repo for a DOE HPC workflow training event☆12Updated last year
- Autonomous Data Acquisition, Uncertainty Quantification and HPC Optimization☆20Updated 2 weeks ago
- Python Interface to the Data and Learning Hub for Science☆27Updated last year
- python library for atomistic machine learning☆66Updated last week
- The MDF Connect Client is the Python client to easily submit datasets to MDF Connect.☆10Updated 6 months ago
- A package for plotting and manipulating 1D spectra☆10Updated last month
- Forge is the Python package to access data in the Materials Data Facility☆30Updated 2 years ago
- Workflow management for signac-managed data spaces.☆48Updated 2 weeks ago
- Molecular dynamics proxy application based on Cabana☆20Updated this week
- ExaWorks SDK☆11Updated 7 months ago
- An extensible library of tools that extract metadata from scientific files☆15Updated last year
- High throughput workflows and automation for HPC☆76Updated 6 months ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆16Updated 3 months ago
- MAUD Interface Language Kit (MILK) is a set of Rietveld tools for automated processing of diffraction datasets.☆18Updated 3 months ago
- up-scale python functions for high performance computing☆12Updated this week
- Fast computation of a gaussian and its derivative on a grid.☆29Updated 4 months ago
- This is a mirror. Please check our main website on gitlab.☆22Updated last week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 2 years ago
- Core components of the pyiron integrated development environment (IDE) for computational materials science☆21Updated this week
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆29Updated last year
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆43Updated this week
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆81Updated last month
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆15Updated last week
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆79Updated last month
- ☆14Updated 2 years ago
- An open-source Python library providing utilities for simulating diffraction☆46Updated last month
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆46Updated this week
- ☆27Updated last week
- funsies is a lightweight workflow engine 🔧☆40Updated 2 years ago