CodeOceany / predbandgap_2dLinks
用机器学习的方法预测二维材料的物理性质
☆13Updated 4 years ago
Alternatives and similar repositories for predbandgap_2d
Users that are interested in predbandgap_2d are comparing it to the libraries listed below
Sorting:
- Computational Materials Science(Book)☆115Updated 2 weeks ago
- MatDesign: a programming-free AI platform to predict and design materials☆79Updated last month
- Useful scripts for VASP☆199Updated 4 years ago
- 新生入学培训资料☆18Updated 3 years ago
- XMU Chenglab Wiki☆96Updated 7 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆64Updated 6 years ago
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取,任务文件管理的工具☆75Updated 5 years ago
- ☆15Updated 2 months ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆83Updated 2 years ago
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆12Updated this week
- Fix lattice component(s) during relaxation in VASP☆136Updated 2 months ago
- Ferroelectric/Ferroelastic domain wall builder☆23Updated last year
- Some scripting tools used for lammps input or output☆62Updated 8 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆234Updated this week
- Repository for links to software packages and databases used in deep-learning applications for materials science☆150Updated 9 months ago
- A toolkit for automatic calculation and analysis of elastic constants☆14Updated 7 months ago
- ☆128Updated 6 years ago
- ☆12Updated 2 years ago
- 针对开源模拟软件Lammps导出的数据文件,个人采用Python脚本进行数据处理并科研绘图,并取得相关的论文成果。☆50Updated 4 years ago
- A Python package for manipulating atomistic data of software in computational science☆243Updated last week
- ☆117Updated 5 months ago
- band plot using python matplotlib☆179Updated last year
- Some scripts for gpumd and nep☆60Updated last month
- ☆62Updated last year
- A Toolkit for GPUMD&NEP☆106Updated this week
- A grain boundary generation code☆80Updated 2 years ago
- A program that converts VASP POSCAR files to crystallographic information file format (CIF)☆23Updated 12 years ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆62Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated last week
- ☆30Updated last month