Perl scripts to help out with material studio and CASTEP
☆10Feb 18, 2015Updated 11 years ago
Alternatives and similar repositories for materials_studio_scripts
Users that are interested in materials_studio_scripts are comparing it to the libraries listed below
Sorting:
- perl script of Materials Studio☆26Apr 23, 2023Updated 2 years ago
- 《能源环境材料计算模拟方法》学习笔记，包括linux基础命令、pbs作业管理系统、vasp、materials studio等。☆24Mar 13, 2026Updated last week
- Some of useful tcl scripts to analyse data from VMD☆15Aug 2, 2022Updated 3 years ago
- 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 8 months ago
- Smart Go module dependency inspection and pruning.☆19Jun 11, 2020Updated 5 years ago
- dtmb☆17Apr 3, 2015Updated 10 years ago
- 机器学习实验 - 线性回归 - 预测连续值☆11Aug 11, 2017Updated 8 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- Documentation at https://qiskit-community.github.io/qiskit-nature-pyscf/☆22Aug 12, 2025Updated 7 months 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 9 months ago
- HandsomeYingyan's Hack in Openwrt!!!☆16Feb 23, 2021Updated 5 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- ☆31Dec 4, 2022Updated 3 years ago
- ☆14Aug 21, 2019Updated 6 years ago
- Introductory QMC teaching material for Python☆13Jun 8, 2016Updated 9 years ago
- 大学计算机类课程笔记及攻略☆22Mar 27, 2025Updated 11 months ago
- DRA audio encoder & decoder system.☆18May 19, 2016Updated 9 years ago
- GoMLX implementation of Google's Gemma models☆38Nov 1, 2024Updated last year
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆38Aug 2, 2018Updated 7 years ago
- Linux DVB driver for NERC DTV (CY68013A + HDIC HD2312) DTMB/DMB-TH USB adapter☆33Sep 6, 2024Updated last year
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Dec 28, 2023Updated 2 years ago
- Chrome extension that highlights syntax of golang code in Present (https://godoc.org/golang.org/x/tools/cmd/present) slides☆29Apr 19, 2017Updated 8 years ago
- Hands-on Artificial Intelligence with TensorFlow, published by Packt☆16Jan 14, 2021Updated 5 years ago
- 基于python的PLUMED的可视化界面开发☆12Jan 8, 2025Updated last year
- ☆12Feb 24, 2026Updated 3 weeks ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆15Aug 15, 2025Updated 7 months ago
- A Julia package for fitting the equation of state of solids, and more☆15Sep 18, 2025Updated 6 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 6 months ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 4 months ago
- A pytorch toolbox designed for experimentation using a generalization of the Resnet design.☆15Jul 6, 2023Updated 2 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Feb 25, 2026Updated 3 weeks ago
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 10 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- LaTeX template for Dalian Maritime University Graduation Thesis☆17May 27, 2013Updated 12 years ago
- ☆13Nov 16, 2022Updated 3 years ago
- A data set of 20 million calculated off-equilibrium conformations for organic molecules☆102Aug 8, 2022Updated 3 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Python-Application-Development-Tips-Tricks-and-Techniques [Video]☆13Jan 14, 2021Updated 5 years ago