Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
☆23Apr 6, 2026Updated this week
Alternatives and similar repositories for PyRAI2MD-hiam
Users that are interested in PyRAI2MD-hiam 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 main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆53Jan 21, 2026Updated 2 months ago
- DensityTool post-processing program for VASP☆31Nov 29, 2023Updated 2 years ago
- ☆22Jan 14, 2022Updated 4 years ago
- ☆21Nov 29, 2021Updated 4 years ago
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 4 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- A collection of files related to machine learning force fields☆22Oct 25, 2023Updated 2 years ago
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- A collection of frequency scale factors from various sources.☆15Mar 15, 2023Updated 3 years ago
- ☆45Sep 5, 2024Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- Manage and interface with equipment☆24Updated this week
- ☆47Updated this week
- ☆11Apr 17, 2025Updated 11 months ago
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- 红外热成像显示伪彩色和温度☆16Oct 7, 2021Updated 4 years ago
- 清华大学学生健康和出行情况报告每日自动提交☆14Jan 30, 2021Updated 5 years ago
- ☆37Sep 26, 2025Updated 6 months ago
- ☆71Apr 7, 2021Updated 5 years ago
- ☆13Nov 2, 2024Updated last year
- High-throughput DFT of MOFs using ASE/VASP☆31May 22, 2023Updated 2 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆12Mar 16, 2026Updated 3 weeks ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- 分享华南农业大学生命科学学院生物科学专业的学习资料☆13Nov 5, 2022Updated 3 years ago
- 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.
- ☆12Feb 28, 2020Updated 6 years ago
- Plots IR spectra from from ORCA output files☆22Oct 2, 2024Updated last year
- Materials Science Scripts☆13Aug 28, 2025Updated 7 months ago
- The software of CalAtom☆25Jul 17, 2021Updated 4 years ago
- ☆14Oct 17, 2025Updated 5 months ago
- 学堂在线视频字幕下载☆11Mar 7, 2022Updated 4 years ago
- A structured, community-driven learning hub for computational chemistry, covering foundations, methods, tools, practical workflows, and h…☆37Jan 5, 2026Updated 3 months ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- An elementary MD simulation program written in python☆24Sep 29, 2021Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆10Feb 5, 2026Updated 2 months ago
- Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables☆37Feb 22, 2024Updated 2 years ago
- A mathematical look on density-functional theory and DFTK☆35Jul 28, 2021Updated 4 years ago
- TDEP Tutorials☆36Jun 1, 2025Updated 10 months ago
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆10Feb 23, 2018Updated 8 years ago
- mordred web interface☆17Dec 9, 2022Updated 3 years ago
- AI-enhanced computational chemistry☆140Mar 9, 2026Updated last month