WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
☆14Apr 21, 2026Updated 2 weeks ago
Alternatives and similar repositories for weas
Users that are interested in weas are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A widget to visualize and edit atomic structures in Jupyter Notebook☆47Feb 20, 2026Updated 2 months ago
- Official Repository of the Optados code☆25Nov 14, 2025Updated 5 months ago
- ☆13Jan 4, 2024Updated 2 years ago
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Jan 20, 2025Updated last year
- 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.
- blend molecules!☆41Oct 13, 2025Updated 6 months ago
- Main repository for the CP-PAW code☆12Updated this week
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 20, 2026Updated 2 weeks ago
- Find plugins for AiiDA☆20Updated this week
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated 3 months ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆19Apr 18, 2026Updated 2 weeks ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆14Nov 6, 2012Updated 13 years ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- DFT post processing tools☆26Jul 24, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆68Sep 17, 2023Updated 2 years ago
- A general parser for VASP☆15Apr 27, 2026Updated last week
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆41Apr 28, 2026Updated last week
- ☆23Updated this week
- Encoding chemistry to interpret crystallographic data☆28Feb 4, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆10Jan 2, 2021Updated 5 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated last month
- 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
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆35Nov 24, 2025Updated 5 months ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Dec 4, 2023Updated 2 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- A versatile and interactive package for solving crystal structures from powder diffraction data☆13Apr 14, 2026Updated 2 weeks ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Apr 8, 2026Updated 3 weeks ago
- 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.
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- ☆24Oct 9, 2025Updated 6 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…☆15Apr 1, 2026Updated last month
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆31Oct 30, 2022Updated 3 years ago
- ☆12Feb 13, 2024Updated 2 years ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Nov 11, 2025Updated 5 months ago