Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10079次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00624
Optimization of DrugBank DB00706
Optimization of DrugBank DB00830
Optimization of DrugBank DB01555
Optimization of DrugBank DB02134
Optimization of DrugBank DB02221
Optimization of DrugBank DB02474
Optimization of DrugBank DB04204
Optimization of DrugBank DB04983
Optimization of DrugBank DB05410
Optimization of DrugBank DB05713
Optimization of DrugBank DB05804
Optimization of DrugBank DB06236
Optimization of DrugBank DB06625
Optimization of DrugBank DB06802
Optimization of DrugBank DB08776
Optimization of DrugBank DB11164
Optimization of DrugBank DB11457
Optimization of DrugBank DB11917
Optimization of DrugBank DB12179
Optimization of DrugBank DB13216
Optimization of DrugBank DB13329
Optimization of DrugBank DB13465
Optimization of DrugBank DB15243
Optimization of C18H14, submit at Fri Dec 2 15:05:28 2022
Optimization of CH4, submit at Sat Dec 3 09:52:39 2022
Optimization of C3H6ClI, submit at Mon Dec 5 10:05:52 2022
Optimization of C18H30, submit at Mon Dec 5 10:38:49 2022
Optimization of C17H23N5O4, submit at Mon Dec 5 12:47:08 2022
Optimization of C15H26, submit at Mon Dec 5 15:12:14 2022
Optimization of C13H12N2O, submit at Mon Dec 5 17:03:19 2022
Optimization of C15H30Cl+, submit at Tue Dec 6 10:49:17 2022
Optimization of C16H19P+2, submit at Tue Dec 6 11:35:32 2022
Optimization of C6H12O, submit at Tue Dec 6 13:09:05 2022
Optimization of C6H12, submit at Tue Dec 6 16:24:04 2022
Optimization of C10H15NO2, submit at Wed Dec 7 11:28:29 2022
Optimization of C15H10O7, submit at Wed Dec 7 23:19:08 2022
Optimization of C6H6, submit at Sun Dec 11 17:39:53 2022
Optimization of C18H14, submit at Sun Dec 11 18:19:07 2022
Optimization of C16H20FN3O4, submit at Mon Dec 12 09:36:01 2022
Optimization of C14H13N, submit at Mon Dec 12 09:36:54 2022
Optimization of C14H13N, submit at Mon Dec 12 09:36:54 2022
Optimization of C15H16N2, submit at Mon Dec 12 09:54:00 2022
Optimization of C18H24FN3O4, submit at Mon Dec 12 10:15:38 2022
Optimization of C16H19N3O5S, submit at Mon Dec 12 11:10:34 2022
Optimization of C9H9NS, submit at Mon Dec 12 16:09:35 2022
Optimization of C13H12N4S, submit at Mon Dec 12 16:32:37 2022
Optimization of C21H24N6S2, submit at Mon Dec 12 16:53:09 2022
Optimization of C32H45N3O4S, submit at Mon Dec 12 17:04:13 2022
Optimization of C5H10, submit at Wed Dec 14 10:36:55 2022
Optimization of C14H26, submit at Wed Dec 14 11:24:34 2022
Optimization of C28H14N4O2, submit at Thu Dec 15 15:45:41 2022
Optimization of C5H10, submit at Fri Dec 16 19:37:40 2022
Optimization of C14H10, submit at Sun Dec 18 13:29:50 2022
Optimization of C8H5N3, submit at Mon Dec 19 09:32:17 2022
Optimization of C23H26F3N6OP, submit at Tue Dec 20 08:48:02 2022
Optimization of C13H10N2O2S, submit at Tue Dec 20 13:19:39 2022
Optimization of C8H10O, submit at Tue Dec 20 17:02:31 2022
Optimization of C11H14, submit at Tue Dec 20 21:53:23 2022
Optimization of C3H8, submit at Wed Dec 21 10:09:23 2022
Optimization of C23H34, submit at Fri Dec 23 15:46:41 2022
Optimization of C18H18BrF2N3OS, submit at Fri Dec 23 16:00:04 2022
Optimization of C13H7BrF4N2O3S, submit at Fri Dec 23 17:57:28 2022
Optimization of C18H15BrF4N2O3S, submit at Fri Dec 23 18:27:41 2022
Optimization of C17H14BrF4N3O2, submit at Fri Dec 23 19:53:27 2022
Optimization of C34H48Na2O7, submit at Thu Dec 29 10:33:04 2022
Optimization of C49H48, submit at Thu Dec 29 15:51:39 2022
Optimization of C15H25+, submit at Fri Dec 30 09:47:05 2022
Optimization of C26H36, submit at Tue Jan 3 15:04:48 2023
Optimization of C26H36, submit at Tue Jan 3 15:04:57 2023
Optimization of C11H14, submit at Sat Jan 7 15:30:48 2023
Optimization of C16H13+, submit at Tue Jan 10 17:00:13 2023
Optimization of C16H13BrN2O2S, submit at Thu Jan 12 15:23:16 2023
Optimization of C6H9N, submit at Mon Jan 16 18:12:32 2023
Optimization of C19H16, submit at Wed Jan 18 13:18:33 2023
Optimization of C30H48O4, submit at Thu Jan 19 09:17:27 2023
Optimization of C6H10, submit at Fri Jan 20 11:22:34 2023
Optimization of C21H22FNO, submit at Fri Jan 20 15:54:45 2023
Optimization of C10H13N, submit at Thu Feb 2 13:32:35 2023
Optimization of C6H12, submit at Thu Feb 2 15:34:34 2023
蛋白质结构预测
MEGA Fold
基于MindSpore框架,一款更为高效的蛋白质结构预测工具MEGA-Fold
A more efficient protein structure prediction tool based on MindSpore framework: MEGA-Fold
盘古分子搜索
Molecule Search
以参考分子为起点,从海量分子数据库中检索出相似度排名靠前的分子
Starting from a candidate, retrieves the molecules with the highest similarity from the massive molecular databases
盘古分子优化器
Molecule Optimizer
以参考分子为起点,优化得到性质更优、结构新颖的分子
Starting from a candidate, optimizing towards better properties with novelty
口袋分子设计
Pocket Molecule Design
基于蛋白口袋的分子设计,包含分子从头生成和分子片段设计
Molecular Design Based on Protein Pocket, including de novo molecular generation and molecular fragment design
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