Layer Integrated Toolkit and Engine for Simulations of Photo-induced Phenomena
☆10May 23, 2024Updated last year
Alternatives and similar repositories for litesoph
Users that are interested in litesoph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Starter and Final code for the Challenge project: "Challenge project - Build a minigame console app with GitHub Copilot"☆37Aug 16, 2024Updated last year
- Crsytal simulation tools☆10Apr 30, 2026Updated last week
- ☆10Jul 6, 2023Updated 2 years ago
- Tutorial files for alamode☆14Aug 6, 2024Updated last year
- Graph-building for AtomicGraphNets☆12Nov 20, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆48Nov 4, 2025Updated 6 months ago
- A package to process electrochemical results from atomistic simulations.☆17Jul 14, 2025Updated 9 months ago
- Tools for geometric learning☆12Sep 26, 2025Updated 7 months ago
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆114Updated this week
- Extended QCADesigner with estimation of energy dissipation☆19Aug 17, 2025Updated 8 months ago
- GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)☆32Updated this week
- Fermi surface viewer providing multiple representation schemes☆23Apr 19, 2026Updated 2 weeks ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 3 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Fazendo um tema que me agrade e mudando sempre que para de me agradar.☆12Aug 17, 2024Updated last year
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 3 years ago
- Reproducible research - Preparing code to be usable by you and others in the future☆34Mar 30, 2026Updated last month
- A set of tools for analyzing molecular dynamics simulations☆12Updated this week
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Nov 13, 2022Updated 3 years ago
- Metals, Magnets, and Miscellaneous Materials: Blog Introduction to Computational Condensed Matter☆39Nov 5, 2020Updated 5 years ago
- Force-field-enhanced Neural Networks optimized library☆87Apr 3, 2026Updated last month
- Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble☆14Jul 12, 2024Updated last year
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated last month
- 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.
- Read, write and manipulate atomic systems in PDB and mmCIF formats☆16May 2, 2026Updated last week
- Create searchable PDFs via optical character recognition☆16Jan 31, 2025Updated last year
- DFT control☆12Sep 14, 2023Updated 2 years ago
- ☆14Nov 20, 2025Updated 5 months ago
- trying to improve the julia banner☆20Nov 1, 2021Updated 4 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- A Julian abstract interface for atomistic calculators.☆17Feb 17, 2026Updated 2 months ago
- A glue package for reading and writing tabular data. It aims to provide a uniform api for reading and writing tabular data from and to mu…☆14Oct 17, 2022Updated 3 years ago
- Package that provides a integrated Julia workflow for molecular dyanmics simulations.☆17Mar 22, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆25Mar 25, 2026Updated last month
- A Julia package for calculating properties of crystalline solids.☆15Mar 17, 2023Updated 3 years ago
- EPUB Writer for Documenter.jl☆20Jan 21, 2024Updated 2 years ago
- Swap the meaning of literals in the Julia REPL☆17Nov 10, 2025Updated 5 months ago
- ☆23Sep 28, 2021Updated 4 years ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆78May 23, 2025Updated 11 months ago
- Scientific Computing from Scratch☆11Oct 23, 2025Updated 6 months ago