lzhengchun / BraggNN
Faster X-ray Bragg Peak Analysis with Deep Learning
☆14Updated 2 years ago
Alternatives and similar repositories for BraggNN:
Users that are interested in BraggNN are comparing it to the libraries listed below
- Library for steering campaigns of simulations on supercomputers☆49Updated 2 weeks ago
- Molecular dynamics proxy application based on Cabana☆20Updated 3 months ago
- Repo for a DOE HPC workflow training event☆13Updated last year
- Python Interface to the Data and Learning Hub for Science☆27Updated last year
- ExaWorks SDK☆11Updated 11 months ago
- High throughput workflows and automation for HPC☆78Updated last month
- Core components of the pyiron integrated development environment (IDE) for computational materials science☆21Updated this week
- python library for atomistic machine learning☆72Updated 2 months ago
- Fast computation of a gaussian and its derivative on a grid.☆29Updated 8 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago
- Developer repository for the LATTE code☆40Updated this week
- Workflow management for signac-managed data spaces.☆48Updated last week
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆29Updated 3 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆20Updated this week
- Autonomous Data Acquisition, Uncertainty Quantification and HPC Optimization☆23Updated last month
- MAUD Interface Language Kit (MILK) is a set of Rietveld tools for automated processing of diffraction datasets.☆18Updated last month
- This is a mirror. Please check our main website on gitlab.☆27Updated this week
- An extensible library of tools that extract metadata from scientific files☆15Updated 2 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆47Updated this week
- MultiResolution Chemistry☆30Updated last month
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆27Updated 2 years ago
- Up-scale python functions for high performance computing (HPC) with executorlib.☆15Updated this week
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆58Updated this week
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆83Updated this week
- Open Source Exascale Computational Chemistry Software☆25Updated this week
- Forge is the Python package to access data in the Materials Data Facility☆30Updated 2 years ago
- Crystal structure container and parsers for structure formats.☆35Updated 2 months ago
- CBE 504 at Princeton☆15Updated this week
- ScaFaCoS library for Fast Coulomb Solvers☆28Updated 2 years ago