Scientific Computing & Academic Casting Toolkit
Bridge your science with the right cast.
Download → Unzip → Double-click SCI-CAST.exe → Done.
下载 → 解压 → 双击 SCI-CAST.exe → 开始使用。无需安装任何依赖。
📦 Download SCI-CAST v3.2.0 (Windows x64, ~550 MB)
SCI-CAST is an all-in-one desktop toolkit for computational chemistry researchers. It combines five modules that cover the most common daily tasks — from crystal structure lookup and file conversion, to journal selection and reference formatting — in a single, offline-ready application.
SCI-CAST 是一款面向计算化学研究者的一站式桌面工具箱。它将五个模块整合在一个离线可用的应用中，覆盖日常最常见的任务：晶体结构检索、文件格式转换、目标期刊筛选、参考文献整理。
No Python. No command line. No configuration. Just double-click and go.
不需要 Python，不需要命令行，不需要配置。双击即用。
Search 10,000+ zeolite, MOF, and COF crystal structures locally, with no internet required.
在本地离线检索 10,000+ 沸石、MOF 和 COF 晶体结构。
- Search by common name — MOF-5, HKUST-1, UiO-66, ZIF-8, MFI … / 按常用名搜索
- Advanced filters — crystal system, cell parameters (±%), topology, metal, PLD, LCD, surface area / 晶系、晶胞参数、拓扑、金属、PLD、LCD 等高级筛选
- One-click CIF download or batch export (CIF + CSV zip) / 单击下载 CIF 或批量导出
| Database | Structures |
|---|---|
| Zeolite | 200+ topologies |
| MOF | 10,000+ |
| COF | 1,000+ |
Convert crystal structure files between 10+ formats with one click.
一键转换 10+ 种晶体结构文件格式。
| Formats | |
|---|---|
| Input | CIF, POSCAR, XDATCAR, XYZ, ExtXYZ, PDB, MOL, SDF, RES, LAMMPS dump |
| Output | CIF, POSCAR, RES, PDB, ExtXYZ, XYZ, MOL, SDF |
- Supercell generation (a × b × c) / 超胞生成
- Symmetry expansion to P1 / 对称性展开
- Multi-file batch mode / 多文件批量模式
- Charge calculation: EQeq (built-in) & PACMAN (DDEC6/Bader/CM5/REPEAT) / 电荷计算
Batch convert volumetric grid files with progress tracking.
批量转换体积网格文件，带实时进度条。
.cube ↔ CHGCAR/LOCPOT ↔ .grd ↔ .xsf
Supports Gaussian, CP2K, ORCA, VASP, Materials Studio, Quantum ESPRESSO, XCrySDen.
Paste your title + abstract → get ranked journal recommendations and reviewer candidates.
粘贴标题和摘要 → 获得排序后的候选期刊与审稿人推荐。
- Pub-Match — Manuscript → journal candidates + reviewer shortlists (with IF, quartile, zone) / 稿件 → 候选期刊 + 审稿人（附 IF、分区）
- Ref-Filter — Browse 22,000+ journals by name, field, impact factor / 浏览 22,000+ 期刊分区数据库
- Your manuscript text never leaves your machine / 稿件内容不会离开本机
Fetch, clean, and format references for any major publisher in seconds.
几秒内获取、清洗和格式化参考文献，适配各大出版社。
- 4 input methods — DOI fetch, title search, file import (RIS/BibTeX/XML), manual entry / DOI、标题搜索、文件导入、手动录入
- 10+ citation styles — ACS, RSC, Wiley, Elsevier, Nature, Science, Springer, Frontiers, MDPI, Cell Press … / 10+ 种引用样式
- Quality audit — Red/yellow/green grading with issue highlighting / 红黄绿质量审核 + 问题高亮
- Export — EndNote XML, RIS, BibTeX / 导出
| 1. | Download the zip (~550 MB) / 下载压缩包 |
| 2. | Extract to any folder / 解压到任意文件夹 |
| 3. | Double-click SCI-CAST.exe / 双击运行 |
Requirements / 系统要求: Windows 10/11 (64-bit). WebView2 Runtime (pre-installed on most systems / 多数系统已自带).
- Crystal structure database with 10,000+ entries / 10,000+ 晶体结构数据库
- 10+ structure file format conversion / 10+ 种结构文件格式互转
- Journal matching & reviewer discovery / 期刊匹配与审稿人发现
- Reference cleanup for 10+ publisher styles / 10+ 出版社引用样式清洗
- PXRD-CAST — Powder XRD pattern simulation & matching / 粉末 XRD 模拟与匹配
- More database integrations / 更多数据库集成
If SCI-CAST helps your research, a citation is appreciated:
如果 SCI-CAST 对您的研究有帮助，欢迎引用：
YeZM. SCI-CAST: Scientific Toolkit for Computational Chemistry
& Publication Workflows, v3.2.0, 2026.
https://github.com/ye-zi-ming/SCI-CAST
YeZM
Google Scholar · ORCID · GitHub
A researcher who spent too many years switching between the bench and the terminal. SCI-CAST grew out of scattered scripts and small tools — finally put together into one place.
一个在实验台和电脑之间来回切换了太多年的科研人。SCI-CAST 源于多年零散的脚本和小工具——终于整合到了一处。
Free for academic & personal use · 学术与个人用途免费
GPL-3.0 License · © 2026 YeZM