A versatile and interactive package for solving crystal structures from powder diffraction data
☆13Apr 14, 2026Updated 2 weeks ago
Alternatives and similar repositories for dash
Users that are interested in dash are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MAUD Interface Language Kit (MILK) is a set of Rietveld tools for automated processing of diffraction datasets.☆20Oct 14, 2025Updated 6 months ago
- A peak finding library leveraging AI☆14Jun 28, 2020Updated 5 years ago
- Notebooks for Jupyter training session at Mozfest 2015☆13Sep 8, 2017Updated 8 years ago
- Reads crystallographic cif files and simulates diffraction☆77Sep 15, 2025Updated 7 months ago
- Datasets for open forcefield parameterization and development☆11Sep 22, 2019Updated 6 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆12Feb 2, 2024Updated 2 years ago
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆14Apr 21, 2026Updated last week
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 5 years ago
- Accelerated molecular crystal structure determination from powder diffraction data☆13Jun 20, 2025Updated 10 months ago
- A tool for the analysis of pathways sampled in molecular dynamics simulations based on Self-Organizing Maps (SOM)☆10Jan 26, 2022Updated 4 years ago
- ☆14Jun 4, 2024Updated last year
- Compare optimized geometries and energies from various force fields with respect to a QM reference.☆14Apr 19, 2021Updated 5 years ago
- ☆10Jan 2, 2021Updated 5 years ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- Benchmark data for density-functional theory method development.☆19Nov 26, 2025Updated 5 months ago
- ☆16Dec 24, 2016Updated 9 years ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- Reads HTML files, converting tables into CSV files☆31Jun 20, 2020Updated 5 years ago
- TS-DAR identifies transition states of protein conformational changes from MD simulations using hyperspherical embeddings in the latent s…☆21Oct 27, 2025Updated 6 months ago
- A Bayesian testing framework written in Python.☆94Feb 10, 2015Updated 11 years ago
- repository associated to our pipeline for lipid dynamics☆15Jun 17, 2024Updated last year
- Martini 3 Building Blocks for Lipid Nanoparticle Design☆25Mar 18, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Nov 11, 2025Updated 5 months ago
- A python program for calculating the mass of XAFS [X-Ray Absorption Fine Structure] samples. The chemical formula parser understands pare…☆11Apr 17, 2026Updated last week
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 4 years ago
- Copernicus☆18Oct 27, 2017Updated 8 years ago
- Python based GUI-Program for integration and exploration of 2D x-ray diffraction images.☆67Apr 21, 2026Updated last week
- System configuration and utilities for Linux ⚙☆12Mar 16, 2026Updated last month
- TS2CG version 2☆27Apr 18, 2026Updated last week
- Xi-cam is a graphical environment for synchrotron data analysis, management, and visualization developed by the Advanced Light Source at …☆12Apr 3, 2026Updated 3 weeks ago
- Force Field X - Software for Molecular Biophysics☆25Apr 21, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆18Apr 6, 2026Updated 3 weeks ago
- The database contains a vast set of data on the properties of glass materials.☆15Aug 27, 2023Updated 2 years ago
- Feff8L: Open Source theoretical EXAFS fitting standards☆17Nov 6, 2020Updated 5 years ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago
- Qt6 PySide6 based GUI for the HEXRD library.☆37Updated this week
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- ☆26Oct 30, 2023Updated 2 years ago