http://rainbow.life.tsinghua.edu.cn/wiki/ 2026-05-15T10:23:57+00:00 http://rainbow.life.tsinghua.edu.cn/wiki/ http://rainbow.life.tsinghua.edu.cn/wiki/_media/wiki:dokuwiki.svg text/html 2026-05-07T04:22:02+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/biocomput:beforeclass?rev=1778127722&do=diff 分组 分组 VSCode使用 课前准备：VSCode使用 PyMOL使用 课前准备：PyMOL使用 text/html 2026-04-29T15:10:45+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/biocomput:week09?rev=1777475445&do=diff 课程材料 课程录像 9.1.1 结构解析方法简介 9.1.2 PDB文件中的晶体参数 9.2.1 Outline of the demo 9.2.2 Attention 9.2.3 Self-Attention 9.3.1 AlphaFold2的Evoformer 9.3.2 AlphaFold2的Structure Module 9.4 SPIRED text/html 2026-04-29T15:10:03+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A10.4.1-autodock_vina.mp4&ns=biocomput&rev=1777475403&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="10.4.1-autodock_vina.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T15:04:36+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A10.4.2-ai_docking.mp4&ns=biocomput&rev=1777475076&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="10.4.2-ai_docking.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T15:04:33+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A10.1.1-dft.mp4&ns=biocomput&rev=1777475073&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="10.1.1-dft.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T15:04:32+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A10.2-gaussian.mp4&ns=biocomput&rev=1777475072&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="10.2-gaussian.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T15:04:31+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A10.3-gaff.mp4&ns=biocomput&rev=1777475071&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="10.3-gaff.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T15:04:17+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A10.1.2-antechamber.mp4&ns=biocomput&rev=1777475057&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="10.1.2-antechamber.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:58:32+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A9.3.1-af2_evoformer.mp4&ns=biocomput&rev=1777474712&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="9.3.1-af2_evoformer.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:58:31+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A9.3.2-af2_structure_module.mp4&ns=biocomput&rev=1777474711&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="9.3.2-af2_structure_module.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:58:29+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A9.2.3-self-attention.mp4&ns=biocomput&rev=1777474709&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="9.2.3-self-attention.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:58:29+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A9.1.2-crystal.mp4&ns=biocomput&rev=1777474709&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="9.1.2-crystal.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:58:28+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A9.2.2-attention.mp4&ns=biocomput&rev=1777474708&tab_details=history&media_do=diff&do=media <img 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(zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3A9.4-spired.mp4&ns=biocomput&rev=1777474698&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/mp4.svg" alt="9.4-spired.mp4" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:51:31+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/biocomput?rev=1777474291&do=diff 2026春《AI赋能的生物大分子模拟和计算》 * 课程安排（实时更新） * 课前准备 * Week01：计算环境的搭建 * Homework1 * Week02：提升代码运行的效率 * Week03：分子动力学模拟的基础知识和操作流程（1） * Week04：分子动力学模拟的基础知识和操作流程（2） * Homework2 * Week05：自由能计算和加速采样（1） * Week06：自由能计算和加速采样（2） * Week07：深度学习编程基础 * Week08：深度学习的应用实例（1） * Week09：深度学习的应用实例（2） * Week10：QM方法；AI-based docking… text/html 2026-04-29T14:49:31+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3Aweek-10.pptx&ns=biocomput&rev=1777474171&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/pptx.svg" alt="week-10.pptx" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:49:30+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/?image=biocomput%3Aweek-09.pptx&ns=biocomput&rev=1777474170&tab_details=history&media_do=diff&do=media <img src="http://rainbow.life.tsinghua.edu.cn/wiki/lib/images/fileicons/svg/pptx.svg" alt="week-09.pptx" loading="lazy" width="500" height="500" /> text/html 2026-04-29T14:00:46+00:00 zhangyk (zhangyk@undisclosed.example.com) http://rainbow.life.tsinghua.edu.cn/wiki/biocomput:week10?rev=1777471246&do=diff 课程材料 课程录像 10.1.1 Introduction of DFT 10.1.2 Introduction of GAFF 10.2 Demo1: Gaussian 10.3 Demo2: GAFF 10.4.1 Demo3: AutoDock Vina 10.4.2 Demo4/5: AI Docking