☆14Sep 14, 2025Updated 11 months ago
Alternatives and similar repositories for tpot
Users that are interested in tpot are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆32Dec 27, 2024Updated last year
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- Python Virtual Atomic Force Microscope☆13May 27, 2021Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- MCMC-based algorithm for sampling surface reconstructions☆45Mar 1, 2026Updated 6 months ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 8 months ago
- ASE interface for fully constant potential with VASP☆45Oct 14, 2024Updated last year
- a python package for simulation☆27Dec 9, 2024Updated last year
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 4 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆27Jan 2, 2026Updated 8 months ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- 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.
- Utility scripts and programs for VASP calculations☆31Jul 27, 2026Updated last month
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆31Aug 5, 2020Updated 6 years ago
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated last year
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- ☆78Oct 8, 2024Updated last year
- ☆40Oct 8, 2019Updated 6 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…☆16Jul 28, 2021Updated 5 years ago
- Useful tools integrated for VASP/Wannier90 interface☆13Aug 31, 2022Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- AI generates natively editable PPTX - fork with MinerU parsing and SVG formula support☆19Jun 11, 2026Updated 2 months ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 6 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 9 months ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆31Feb 6, 2025Updated last year
- Encoding chemistry to interpret crystallographic data☆30Aug 14, 2026Updated 2 weeks ago
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆17May 31, 2022Updated 4 years ago
- Exchange parameters of Heisenberg model calculation via Green's function approach