PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structures, DFT-level MatterSim phonon calculations, and open-source high-throughput workflows.
☆29Jan 24, 2026Updated 2 months ago
Alternatives and similar repositories for PhononBench
Users that are interested in PhononBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆25Dec 30, 2025Updated 3 months ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 5 years ago
- bash scripts for buiding and managing hpc based on open hpc.☆23Dec 27, 2025Updated 3 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- InvDesFlow for the inverse design of high-temperature superconducting materials, integrating generative models, stability models, superco…☆19Jun 23, 2025Updated 9 months ago
- Learning Latent Semantic Annotations for Grounding Natural Language to Structured Data☆13Jan 28, 2019Updated 7 years ago
- Some scripts for gpumd and nep☆21Oct 10, 2024Updated last year
- Explainable, recovery-first Mac maintenance workspace.Only 6.2MB installation package ! 20 x smaller than competitors, extremely streamli…☆92Updated this week
- A comprehensive C++ program for calculating molecular thermochemistry properties from quantum chemistry outputs (Gaussian, Orca, GAMESS, …☆26Feb 22, 2026Updated last month
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆18Feb 2, 2017Updated 9 years ago
- Nanoreactor analysis codes (not yet released)☆12Apr 24, 2023Updated 2 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 2 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆37Feb 23, 2025Updated last year
- 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.
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆41Mar 19, 2026Updated last week
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Mar 21, 2024Updated 2 years ago
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆23Feb 3, 2025Updated last year
- Linear Response Method for Calculating U Values in VASP☆31Jul 24, 2025Updated 8 months ago
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆24Mar 7, 2025Updated last year
- Better engineered version of the FreeAskInternet (only the API) tool, empowering developers to build apps which integrate AI/SearXNG.☆36Jun 27, 2024Updated last year
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Apr 19, 2024Updated last year
- THU Math/Physics Notes in LaTeX☆44Jan 5, 2026Updated 2 months ago
- 智能对话机器人☆10May 22, 2023Updated 2 years ago
- 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.
- ☆29Mar 12, 2025Updated last year
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆10Sep 23, 2024Updated last year
- TensorFlow implementation of A Fast and Accurate Dependency Parser using Neural Networks☆16Jan 21, 2020Updated 6 years ago
- This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate…☆20Feb 24, 2026Updated last month
- 天有不测风云☆10Apr 2, 2019Updated 6 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Mar 11, 2020Updated 6 years ago
- OMNI-P2x: A universal neural network potential for excited states☆12Mar 19, 2026Updated last week
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆12Jan 9, 2026Updated 2 months ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- 文本分类实践项目☆13Nov 8, 2019Updated 6 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Sep 4, 2024Updated last year
- NEUQ Online Judge☆14Oct 21, 2025Updated 5 months ago
- 瑞金医院MMC人工智能辅助构建知识图谱大赛TOP40解决方案☆19Jan 17, 2019Updated 7 years ago
- ABACUS开源软件的中文用户文档☆42Mar 23, 2026Updated last week
- ☆13Dec 14, 2024Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago