perl script of Materials Studio
☆28Apr 23, 2023Updated 3 years ago
Alternatives and similar repositories for Materials-Studio-script
Users that are interested in Materials-Studio-script are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Perl scripts to help out with material studio and CASTEP☆10Feb 18, 2015Updated 11 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆33Jul 28, 2025Updated 10 months ago
- ☆10Oct 22, 2025Updated 7 months ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Apr 21, 2026Updated last month
- A fully automated approach to determine the melting temperature of crystalline materials☆22Jul 23, 2024Updated 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.
- LigParGen python package version 2.3 (beta)☆14Apr 19, 2025Updated last year
- Dislocation dynamics codes☆11Nov 3, 2017Updated 8 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 5 years ago
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44May 14, 2026Updated 3 weeks ago
- A software package to identify and locate knots in polymers☆14Nov 20, 2022Updated 3 years ago
- Python library for the construction of porous materials using topology and building blocks.☆88May 30, 2026Updated last week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆20Apr 6, 2026Updated 2 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.
- 本项目是一个由我个人开发的matlab深度学习项目,基于度量学习结合极限学习机进行人脸识别分类,其打破了常见的深度学习架构,是一个创新型项目。且该方法训练识别速度极快,且对数据量几乎无要求。☆16Jun 27, 2025Updated 11 months ago
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 9 months ago
- dtmb☆17Apr 3, 2015Updated 11 years ago
- 机器学习实验 - 线性回归 - 预测连续值☆11Aug 11, 2017Updated 8 years ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- 适用于深澜4K校园网的轻量化自动登录脚本。北航校园网验证通过。☆12Jun 17, 2025Updated 11 months ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆89May 13, 2026Updated 3 weeks ago
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated 2 months ago
- This software is a general purpose classical simulation package. Online documentation available at:☆98Updated this week
- 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.
- Educational code for Density Functional Theory and Quantum Monte Carlo with Python☆21Mar 29, 2019Updated 7 years ago
- ExaDiS (Exascale Dislocation Simulator) is a portable library for Discrete Dislocation Dynamics simulations that runs on GPU☆20Jun 1, 2026Updated last week
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆66Aug 27, 2021Updated 4 years ago
- HandsomeYingyan's Hack in Openwrt!!!☆16Feb 23, 2021Updated 5 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆20Feb 13, 2017Updated 9 years ago
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 8 months ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆45Updated this week
- A benchmark dataset for polymer informatics.☆100May 31, 2021Updated 5 years 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.
- ☆32Dec 4, 2022Updated 3 years ago
- Python tools for mean-field Hubbard models☆27Mar 23, 2026Updated 2 months ago
- A machine-learning implementation that learns generalizable, interpretable models connecting polymer chemistry to membrane gas permeabili…☆43Jun 1, 2025Updated last year
- ☆15Aug 21, 2019Updated 6 years ago
- Dislocation Density VUMAT subroutine for ABAQUS☆25Oct 13, 2025Updated 7 months ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆12Dec 1, 2025Updated 6 months ago
- 大学计算机类课程笔记及攻略☆22Mar 27, 2025Updated last year