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Bilingual computational chemistry research atlas: databases, papers, tutorials and open-source tools. 计算化学研究导航:数据库、文献、教程与开源工具一站检索。
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MolAstria · 计算化学研究导航:2,600+ 条资源每周更新、25 章讲解手册、46 种期刊投稿指南、27 个科学大模型、15 个机器学习势在线计算。A computational chemistry atlas: 2,600+ resources refreshed weekly, a 25-chapter handbook, 46 journals, 27 science models, a Model API with 15 ML potentials, quantum chemistry in the browser and an AI lab.
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Read the full README ↗数据库、软件、教程、论文与开源工具一处检索(2,600 多条,来自 24 个中英文来源,每周四自动更新),配 25 章中英双语讲解手册、AI 家教“研习台”(先摸底、画路线、一步一检、分开练习,学到的积累成知识图)、189 条计算化学教学视频(YouTube 和哔哩哔哩的课程与软件教程,可在页面里播放)、计算化学期刊投稿指南、27 个科学大模型的官方链接与价格对比、用站长 GPU 上 15 个机器学习原子间势在线计算的模型接口(13 种计算)、每周精选论文、以查询为中心的资源关系网、游乐场(量子化学、量子嘉年华、物理疆界和 3D 立体馆四个展区的二十个小游戏,以及浏览器里的量子化学计算器)、量子嘉年华(量子物理、量子计算机、量子算法、量子生物学四个展馆)、物理疆界图、进一步基础科学发现与数学基础、中美研究图谱、28 个平台的预印本雷达、Meta × 化学(Muse 识图与 UMA 脚本),用 DeepSeek / Meta Muse 驱动的闭环电解液分子发现实验室,以及给程序用的开放数据接口(中英双语的静态 JSON,CC BY 4.0)和带 API key 的计算接口。全站支持中文 / English、浅色 / 深色、10 种艺术背景、可调的缩放字号字体和可自己排序的导航,另有 Windows / macOS 桌面版;平板和手机上可以把网站添加到主屏幕,全屏使用,看过的页面断网也能读。
One place to search computational-chemistry databases, software, tutorials, papers and open-source tools (2,600+ entries from 24 Chinese and international sources, refreshed every Thursday), with a 25-chapter handbook in Chinese and English, a guide to computational chemistry journals, official links and a price comparison for 27 scientific language and multimodal models, a Model API that runs 13 kinds of calculation on 15 machine-learning interatomic potentials hosted on the site owner's GPU, Weekly Picks, a query-centred resource network, a playground (twenty games across quantum chemistry, the Quantum Carnival, the Realms of Physics and a 3D hall, plus an in-browser quantum chemistry calculator), the Quantum Carnival (four pavilions: quantum physics, quantum computers, quantum algorithms, quantum biology), the Realms of Physics map, Advancing Fundamental Science with its mathematics module, a China–US research atlas, PreprintRadar across 28 servers, a Meta × Chemistry page (Muse image-to-structure and UMA scripts), a closed-loop AI lab for electrolyte molecule discovery powered by DeepSeek or Meta Muse, and, for programs, an open data API (bilingual static JSON, CC BY 4.0) and a compute API with API keys. The whole site switches between Chinese and English, light and dark, and 10 artistic backgrounds, with display settings and a header you can rearrange; there is also a Windows / macOS desktop app, and on tablets and phones the site can be added to the Home Screen to run full screen, with pages you have opened readable offline.
纯静态网站:public/ 就是发布目录,不需要后端。 · A static site: public/ is the published folder; no backend is needed.
MolAstria 是阿斯特赖亚科技(Morning Glory)旗下的 AI 与科学计算项目。Morning Glory 是 16513778 Canada Inc.(加拿大联邦注册公司,多伦多)发展的科技品牌,关注 AI 应用、智能自动化、数据科学与科学计算,长期希望参与 AI 与基础科学的交叉研究。目前对外的产品只有 MolAstria,其他方向都在规划中。介绍见 关于页。
MolAstria is the AI & Scientific Computing project of Morning Glory, a Toronto-based emerging technology brand being developed under 16513778 Canada Inc. (a Canadian federal corporation), with a focus on AI applications, intelligent automation, data analytics and scientific computing. MolAstria is its only public product today; the other directions are planned. See the About page.
Intelligence Beyond Boundaries. 智能无界,探索未知。From Artificial Intelligence to Scientific Discovery. 从人工智能到科学发现。
两分钟带你走一遍 MolAstria(英文配音,有声音)。点封面播放。 · A two-minute walk through MolAstria, with English voice-over. Click the cover to play.
播放视频 · Play the video(mp4,9 MB) · 在 X 上观看 · Watch on X
在播放页面观看完整视频 · Watch the full video tour
三段较早的短片,都有声音:先看 80 秒的介绍,再看网状查询导览和深色模式下的全站导览。 · Three earlier short films with sound: an 80-second introduction, then a tour of the network and a tour of the whole site in dark mode.
https://github.com/user-attachments/assets/0bb5cc3d-f832-4ef3-95ef-c0ed371b0911
https://github.com/user-attachments/assets/701d454d-34fd-414a-8e73-a1f41ff7e14f
https://github.com/user-attachments/assets/31c3bf7b-e4e8-4121-bd8b-750b62277c0a
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