☆20Jul 14, 2026Updated last week
Alternatives and similar repositories for phelel
Users that are interested in phelel are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generate symmetrized force constants☆29Jul 14, 2026Updated last week
- ☆23Jun 2, 2024Updated 2 years ago
- Generator of polynomial machine learning potentials☆22Jul 13, 2026Updated last week
- Automation software for calculating anharmonic phonon properties☆27Jul 3, 2026Updated 2 weeks ago
- Intelligent Scientific Agent for Materials Design☆24Jun 29, 2026Updated 3 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 3 weeks ago
- ☆10Sep 26, 2025Updated 9 months ago
- Crsytal simulation tools☆10Jul 14, 2026Updated last week
- The Temperature Dependent Effective Potentials (TDEP) code☆122Jul 2, 2026Updated 2 weeks ago
- ☆13Apr 12, 2023Updated 3 years ago
- ☆12Jun 24, 2026Updated 3 weeks ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆22Jul 10, 2026Updated last week
- ☆18Feb 26, 2026Updated 4 months 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.
- Interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQSs) using ATAT mcsqs☆21Updated this week
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- Pymatgen Core☆21Updated this week
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 6 years ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 12, 2026Updated last week
- This is the data file associated with the publication "User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementatio…☆16Apr 16, 2026Updated 3 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.
- Geometric analysis of crystal structures☆16Jun 16, 2022Updated 4 years ago
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆29Jul 7, 2026Updated 2 weeks ago
- A RL framework for Crystal Structure Generation using GRPO☆59May 14, 2026Updated 2 months ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26May 5, 2026Updated 2 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- Descriptors (isometry invariants) of crystals based on geometry.☆39Nov 17, 2025Updated 8 months ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated 3 weeks ago
- Compressive sensing lattice dynamics☆32May 7, 2026Updated 2 months ago
- ☆23Mar 18, 2024Updated 2 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.
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 4 months ago
- Allegro-pol extends the Allegro architecture to model the electric response of materials☆39May 30, 2026Updated last month
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆30Jan 21, 2021Updated 5 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆29May 19, 2022Updated 4 years ago