LAttice DYnamic tools
☆16Nov 17, 2025Updated 4 months ago
Alternatives and similar repositories for LADYtools
Users that are interested in LADYtools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Practical guide on how to use VASP☆26Jul 14, 2020Updated 5 years ago
- Saint-Petersburg: Beamer theme for SPbU☆11Dec 3, 2021Updated 4 years ago
- An interactive viewer☆14Jun 17, 2020Updated 5 years ago
- Extended XYZ specification and parsers☆24Nov 1, 2025Updated 4 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 7 months ago
- Official repo for the ICTP/School on Parallel Programming and Parallel Architecture for High Performance Computing☆12Jun 25, 2024Updated last year
- LAMMPS plugin for AiiDA☆27Updated this week
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆34Updated this week
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 4 months ago
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Sep 24, 2025Updated 5 months ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆101Mar 12, 2026Updated last week
- Sparse Gaussian Process Potentials☆28Sep 29, 2025Updated 5 months ago
- The official code respository for "Rethinking the role of frames for SE(3)-invariant crystal structure modeling" (ICLR 2025)☆16Oct 16, 2025Updated 5 months ago
- A LaTeX template for proposals to the U.S. Department of Energy☆13Oct 10, 2023Updated 2 years ago
- Julia Library for Interatomic Potentials☆88Apr 14, 2025Updated 11 months ago
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 8 months ago
- Tools for Phono(3)py power users.☆36Oct 23, 2023Updated 2 years ago
- Helper tool for rendering mathematical LaTeX-expressions☆14Jan 21, 2022Updated 4 years ago
- Python Materials Discovery Framework☆75Feb 2, 2024Updated 2 years ago
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆12Dec 26, 2022Updated 3 years ago
- ☆13Dec 14, 2024Updated last year
- A dynamic string data type implementation for C.☆18Aug 4, 2022Updated 3 years ago
- ☆11Sep 16, 2024Updated last year
- ☆10Apr 4, 2023Updated 2 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆46Updated this week
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 2 months ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆31Feb 9, 2026Updated last month
- Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…☆19Dec 18, 2020Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆57Nov 11, 2025Updated 4 months ago
- ☆12Apr 9, 2025Updated 11 months ago
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 2023Updated 2 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- ☆21Jun 2, 2024Updated last year
- LAMMPS interface for phonon calculations using phonopy☆90Nov 5, 2025Updated 4 months ago