Public Archive: Beautiful and Elegant Quantum Mechanics Visualization.
☆76Mar 17, 2026Updated 5 months ago
Alternatives and similar repositories for ElectronVisualized
Users that are interested in ElectronVisualized 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 Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 7 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆16Updated this week
- AlphaFold ported to the M1 GPU☆10Mar 6, 2023Updated 3 years ago
- The TurboGAP code☆21Aug 28, 2026Updated last week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years 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.
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- A Computational Chemistry DataBase☆44Jun 28, 2021Updated 5 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Updated this week
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- Molar is a database management to make it easy to store experiment whether computational or not☆12Jul 15, 2022Updated 4 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆29Updated this week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆19Dec 28, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- On-the-fly generator of space-group irreducible representations☆59Updated this week
- In-Class/Active-Learning Exercises for Quantum Chemistry☆18Aug 13, 2018Updated 8 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14May 16, 2026Updated 3 months ago
- ☆18Mar 24, 2025Updated last year
- Official Repository of the Optados code☆25Nov 14, 2025Updated 9 months ago
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆170Feb 7, 2026Updated 6 months ago
- ☆13Aug 19, 2026Updated 2 weeks ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆45Aug 15, 2026Updated 2 weeks 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.
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated last year
- ☆13Jul 17, 2025Updated last year
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 9 years ago
- 3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.☆16Feb 10, 2020Updated 6 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Apr 8, 2024Updated 2 years ago
- Quantum Chemistry Web Platform☆75Jul 25, 2026Updated last month
- ☆18Mar 5, 2023Updated 3 years ago
- A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models☆53Oct 21, 2025Updated 10 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated 2 months ago
- ☆43Aug 28, 2026Updated last week
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 5 months ago
- Data for Coordination Complexes for the InChI Identifier☆12May 11, 2021Updated 5 years ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆22Jul 27, 2026Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆23Jun 10, 2024Updated 2 years ago