X3D for Atomic Simulation Environment
☆15Nov 8, 2020Updated 5 years ago
Alternatives and similar repositories for x3dase
Users that are interested in x3dase are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.☆13May 29, 2022Updated 4 years ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so o…☆21Mar 18, 2020Updated 6 years ago
- Make better chemistry documentation!☆15Nov 20, 2024Updated last year
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A literature database☆83Apr 7, 2026Updated 3 months ago
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆200Updated this week
- Theory Infused Neural Network☆11May 6, 2026Updated 2 months ago
- ☆12Nov 3, 2019Updated 6 years ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆26Oct 19, 2022Updated 3 years ago
- Python module for drawing and rendering beautiful atoms and molecules using Blender.☆196Dec 9, 2025Updated 7 months ago
- ☆15Feb 5, 2025Updated last year
- Crystallographic files of common materials, elements, oxides, for visualization in Avogadro☆20Apr 1, 2026Updated 3 months ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆107Mar 11, 2026Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A CIF file finalizer for small molecule crystallography with as much automation as possible.☆20Updated this week
- ☆14Mar 17, 2019Updated 7 years ago
- ☆80Dec 15, 2025Updated 7 months ago
- Reproduction of CGCNN for predicting material properties☆27Jul 7, 2026Updated 2 weeks ago
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 8 months ago
- Corresponding dataset and tools for the AdsorbML manuscript.☆46Feb 5, 2025Updated last year
- A widget to visualize and edit atomic structures in Jupyter Notebook☆48Feb 20, 2026Updated 5 months ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 4 years ago
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this 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.
- ☆43Updated this week
- A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.☆15Dec 18, 2023Updated 2 years ago
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16Jul 6, 2026Updated 2 weeks ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆89Jul 14, 2025Updated last year
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆30Updated this week
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆22Jul 11, 2026Updated 2 weeks ago
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated 3 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Chemical intuition for surface science in a package.☆63May 8, 2026Updated 2 months ago
- Machine Learning for Catalysis☆20May 25, 2023Updated 3 years ago
- 3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.☆16Feb 10, 2020Updated 6 years ago
- A Python package for data-mining the QM9 dataset☆20Mar 14, 2025Updated last year
- ☆12Sep 9, 2020Updated 5 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated 2 years ago
- Optimize classical force field parameters against reference data☆12Updated this week