LAttice DYnamic tools
☆16Nov 17, 2025Updated 10 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☆28Jul 14, 2020Updated 6 years ago
- Saint-Petersburg: Beamer theme for SPbU☆11Dec 3, 2021Updated 4 years ago
- An interactive viewer☆14Jun 17, 2020Updated 6 years ago
- Restricted Fragment Algorithm for the Dial-A-Ride Problem☆11Jan 26, 2021Updated 5 years ago
- Extended XYZ specification and parsers☆27Jul 15, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Official repo for the ICTP/School on Parallel Programming and Parallel Architecture for High Performance Computing☆12Jun 25, 2024Updated 2 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 9 months ago
- A python package to deconstruct MOFs, COFs or Cages into building units, compute porosity, remove unbound guests and compute cheminfomati…☆25Sep 5, 2026Updated 2 weeks ago
- LAMMPS plugin for AiiDA☆28Updated this week
- 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
- Sparse Gaussian Process Potentials☆28May 8, 2026Updated 4 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36May 20, 2026Updated 4 months ago
- iRASPA for linux☆37Aug 18, 2026Updated last month
- 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.
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Aug 3, 2026Updated last month
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Julia Library for Interatomic Potentials☆88Apr 14, 2025Updated last year
- gnuplot code for the single blog entries☆14Jun 26, 2017Updated 9 years ago
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 2 years ago
- Helper tool for rendering mathematical LaTeX-expressions☆15Jan 21, 2022Updated 4 years ago
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated last year
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆13Dec 26, 2022Updated 3 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 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.
- ☆14Dec 14, 2024Updated last year
- ☆11Sep 16, 2024Updated 2 years ago
- Python Materials Discovery Framework☆76Feb 2, 2024Updated 2 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆49Updated this week
- ☆10Apr 4, 2023Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆60May 23, 2026Updated 3 months ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 8 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆34Jul 28, 2025Updated last year
- ☆14Apr 9, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆38Sep 10, 2026Updated last week
- A dynamic string data type implementation for C.☆19Aug 4, 2022Updated 4 years ago
- ML benchmarking and pipeling framework☆15Oct 28, 2025Updated 10 months ago
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- Calculate oscillatory integrals using Julia☆10Jun 28, 2024Updated 2 years ago
- The official code respository for "Rethinking the role of frames for SE(3)-invariant crystal structure modeling" (ICLR 2025)☆21Oct 16, 2025Updated 11 months ago
- A LaTeX template for proposals to the U.S. Department of Energy☆16Oct 10, 2023Updated 2 years ago