A little question about this project
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- Dominant language
- Jupyter Notebook
- Stars
- 112
- Forks
- 22
- PR merge metrics
- No merged PRs in 30d
Description
非常感谢您做出的贡献！ 请问这个项目可以做到，直接输入cif或vasp结构，然后去预测它的光谱吗？
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
The issue names no file, test, or entry point and only asks whether the project can predict spectra from CIF or VASP structures. Start by reviewing the repository's existing notebooks and model inputs, then clarify the expected structure formats and spectral target. Done would require an agreed implementation scope and validation criteria.
Written by the indexing model from the issue text.
Assessment
- Domain
- machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 10/100