☆14May 26, 2026Updated 5 months ago
Alternatives and similar repositories for LVASPTHW
Users that are interested in LVASPTHW are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 收集了一些计算化学相关的推荐资料。☆35Dec 31, 2024Updated last year
- Linear Response Method for Calculating U Values in VASP☆35Jul 24, 2025Updated last year
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- 收录SC小组在学习高性能计算、分布式架构、数据挖掘与人工智能方向的笔记和材料☆15Oct 29, 2021Updated 5 years ago
- 个人科研笔记网站☆22Mar 29, 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.
- ☆11Nov 10, 2020Updated 5 years ago
- A novel fast and accurate hybrid method for solving Poisson equation for closely-packed dielectric sphere composites.☆10Apr 2, 2021Updated 5 years ago
- ☆11Nov 25, 2024Updated last year
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- Predicting drug approval with reasoning.☆13Jul 2, 2026Updated 4 months ago
- 基于大语言模型的自动综述生成\nAutomatic Review Generation Method based on Large Language Models☆43Jun 22, 2025Updated last year
- ☆16Feb 10, 2023Updated 3 years ago
- ☆19Jan 27, 2020Updated 6 years ago
- Data for QM9 molecules and reactions with 76 functionals and 3 basis sets☆12Sep 6, 2022Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ProLint 2.0: a scalable framework for the analysis of biomolecular interactions in MD simulations.☆12Jun 14, 2026Updated 4 months ago
- chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations☆11Jan 15, 2026Updated 9 months ago
- ☆12Sep 29, 2026Updated last month
- ☆11Mar 12, 2026Updated 7 months ago
- many-body perturbation theory without empty states☆13Jul 6, 2018Updated 8 years ago
- A Fortran90 program for unfolding phonon dispersions☆13Jun 12, 2020Updated 6 years ago
- Useful scripts for VASP☆207Dec 28, 2021Updated 4 years ago
- ☆13Apr 12, 2023Updated 3 years ago
- A tool to create molecule structures from topology information (GROMACS-only)☆11Feb 23, 2026Updated 8 months 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.
- ☆25May 7, 2026Updated 5 months ago
- ☆11Jul 13, 2026Updated 3 months ago
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 7 months ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF