☆12Sep 29, 2026Updated last month
Alternatives and similar repositories for HTESP
Users that are interested in HTESP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Rapid building, fitting, and application of machine learning force fields☆10Oct 19, 2026Updated 3 weeks ago
- ☆14Jan 21, 2026Updated 9 months ago
- ☆12Feb 28, 2020Updated 6 years ago
- A code to compute the radial distribution function☆21Feb 22, 2019Updated 7 years ago
- A LOBSTER's postprocessor that can automatically plot the output from Local-Orbital Basis Suite Towards Electronic-Structure Reconstructi…☆23Sep 23, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 7 months ago
- A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.☆13Updated this week
- Calculate higher-order elastic constant by first-principles or machine learning force field (interatomic potential)☆14Oct 24, 2026Updated 2 weeks ago
- ☆16Apr 8, 2025Updated last year
- Tutorial for Wannier2022☆17Oct 16, 2026Updated 3 weeks ago
- ☆16Feb 27, 2020Updated 6 years ago
- An introduction to DFT.☆15May 17, 2024Updated 2 years ago
- ☆15Feb 17, 2025Updated last year
- Atomistic foundation models for materials simulation and discovery. Research previews from Kairos Materials.☆61Oct 2, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A flexible workflow for on-the-fly learning of interatomic potential models.☆37Oct 8, 2026Updated last month
- Workshop material for Data Analytics in Chemistry course☆13Nov 3, 2026Updated last week
- CATBench, the Intel Cache Allocation Technology benchmarking suite described in our tech report, "Simple Cache Partitioning for Networked…☆12Oct 6, 2017Updated 9 years ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- Benchmark metrics for crystal structure prediction☆15Aug 1, 2024Updated 2 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- VibroML: Machine-Learning Vibrational Analysis & Stability☆13Updated this week
- ML potentials via transfer learning☆31Updated this week
- existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS☆10Sep 12, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Oct 9, 2026Updated last month
- Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.☆13May 29, 2022Updated 4 years ago
- A set of tools and structures for modelling perovskite polytypes☆13Jun 18, 2023Updated 3 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆15Apr 18, 2023Updated 3 years ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆39Aug 20, 2026Updated 2 months ago
- WannierNLQG is a Julia package for nonlinear responses and quantum-geometric quantities from Wannier tight-binding models.☆33Oct 3, 2026Updated last month
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆18Jun 9, 2021Updated 5 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆22Aug 2, 2023Updated 3 years ago
- 根据高熵合金成分计算其混合熵、混合焓、原子半径差及价电子浓度的小工具☆20Mar 11, 2022Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆14Sep 29, 2026Updated last month
- Automation software for calculating anharmonic phonon properties☆31Oct 29, 2026Updated last week
- ☆25May 21, 2025Updated last year
- Utility scripts and programs for VASP calculations☆33Updated this week
- ☆22Aug 25, 2023Updated 3 years ago
- Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials…☆26Jun 18, 2026Updated 4 months ago
- High-throughput materials discovery.☆21Apr 27, 2026Updated 6 months ago
Are these results useful?