Developer repository for the LATTE code
☆49Feb 23, 2026Updated last month
Alternatives and similar repositories for LATTE
Users that are interested in LATTE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- ASE density-functional tight-binding calculator☆68Jan 23, 2025Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆48Updated this week
- Modern Fortran wrappers around ScaLAPACK routines☆18Mar 9, 2026Updated 2 weeks ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 3 months ago
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆18Dec 11, 2025Updated 3 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆28Updated this week
- General Astrophysical Simulation System☆13Feb 21, 2022Updated 4 years ago
- ☆12Jan 12, 2015Updated 11 years ago
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆76Updated this week
- ☆25Nov 5, 2025Updated 4 months ago
- A poor man's density functional theory program☆14Feb 1, 2026Updated last month
- A library for using machine-learned exchange-correlation functionals for density-functional theory☆21Sep 18, 2021Updated 4 years ago
- Tracking citations of atomistic simulation engines☆27Mar 16, 2026Updated last week
- DFTB+ general package for performing fast atomistic simulations☆419Updated this week
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Distributed cartesian cell-refinable grid☆13Jun 13, 2025Updated 9 months ago
- ☆31Nov 24, 2025Updated 3 months ago
- The Basic Matrix Library (bml)☆43Aug 5, 2025Updated 7 months ago
- ☆13Aug 4, 2017Updated 8 years ago
- Library for Green’s function based electronic structure theory calculations☆28Nov 11, 2025Updated 4 months ago
- ☆34Jan 31, 2024Updated 2 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- ☆12Jan 30, 2026Updated last month
- Two-temperature model (TTM) parameters (G, Ce, K) calculated with XTANT-3☆13Nov 30, 2025Updated 3 months ago
- Molecular and crystal electromagnetic properties☆24May 5, 2025Updated 10 months ago
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- A lightweight implementation of the PFASST algorithm☆13Mar 3, 2026Updated 2 weeks ago
- Multipurpose ab initio MD program.☆12Updated this week
- Lattice Boltzmann code built on AMReX☆14Apr 7, 2020Updated 5 years ago
- Conversion tool for molecular simulations☆225Jan 22, 2026Updated 2 months ago
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago
- Infrastructure library for reading, writing, querying and manipulating distributed, general unstructured polyhedral meshes☆29Aug 12, 2024Updated last year
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Feb 25, 2026Updated 3 weeks ago
- A Parallel and Distributed SPH Implementation Based on the FleCSI☆22Oct 14, 2022Updated 3 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Jul 18, 2020Updated 5 years ago
- Data and scripts for comprehensive benchmark of conformer relative energies☆25Jul 9, 2020Updated 5 years ago