do the performance test of ABACUS
☆21Apr 8, 2026Updated last week
Alternatives and similar repositories for abacus-test
Users that are interested in abacus-test are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆15Dec 18, 2025Updated 4 months ago
- MCP tools to connect LLMs and ABACUS jobs☆23Apr 7, 2026Updated last week
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆27Jan 2, 2026Updated 3 months ago
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 3 weeks ago
- ☆21Jun 15, 2021Updated 4 years ago
- 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.
- ABACUS开源软件的中文用户文档☆43Apr 10, 2026Updated last week
- DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.☆105Mar 19, 2026Updated last month
- Digital Standard Cells based SAR ADC☆15Aug 5, 2021Updated 4 years ago
- ☆16Feb 12, 2026Updated 2 months ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆261Updated this week
- generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish☆57Updated this week
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆19Jul 16, 2025Updated 9 months ago
- Ab initio tight binding simuation package☆39Dec 3, 2025Updated 4 months ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆25Feb 14, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆11Apr 27, 2023Updated 2 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated 3 weeks ago
- 2nd generation of the Deep Potential GENerator☆40Updated this week
- FlyShadowVPN Client☆10Dec 24, 2025Updated 3 months ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆16Feb 12, 2026Updated 2 months ago
- hmglib - Hierarchical matrices on GPU(s) library☆13Jul 31, 2018Updated 7 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- A foundational potential energy dataset for materials☆53Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A LaTeX template for presentations in the official IEE design.☆17Apr 3, 2026Updated 2 weeks ago
- A collection of workflows that are built with DFlow.☆11May 13, 2024Updated last year
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆19Jan 18, 2025Updated last year
- 北京大学物理化学实验报告写作的参考模板。☆10Jan 10, 2021Updated 5 years ago
- GNN models and Datasets for Halogen BDEs☆14Nov 2, 2023Updated 2 years ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆30Apr 7, 2026Updated last week
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆14Sep 22, 2025Updated 6 months ago
- DeePMD-kit plugin for various graph neural network models☆54Apr 6, 2026Updated last week
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 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.
- 2024秋《计算物理基础》课程作业代码与随笔☆13Dec 20, 2024Updated last year
- Numerical renormalization group☆11Dec 20, 2017Updated 8 years ago
- ☆13Apr 10, 2026Updated last week
- Drawing three dimensional bulk and surface Brillouin Zones.☆39Jan 19, 2025Updated last year
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- ☆17Oct 16, 2024Updated last year
- Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling☆15Apr 20, 2021Updated 4 years ago