Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10696次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00374
Optimization of DrugBank DB00640
Optimization of DrugBank DB01170
Optimization of DrugBank DB01586
Optimization of DrugBank DB02169
Optimization of DrugBank DB02395
Optimization of DrugBank DB02632
Optimization of DrugBank DB03133
Optimization of DrugBank DB03429
Optimization of DrugBank DB04758
Optimization of DrugBank DB04926
Optimization of DrugBank DB04934
Optimization of DrugBank DB06533
Optimization of DrugBank DB06913
Optimization of DrugBank DB07406
Optimization of DrugBank DB08600
Optimization of DrugBank DB11404
Optimization of DrugBank DB11799
Optimization of DrugBank DB11899
Optimization of DrugBank DB13248
Optimization of DrugBank DB13367
Optimization of DrugBank DB15107
Optimization of DrugBank DB15146
Optimization of DrugBank DB16237
Optimization of C16H24O10, submit at Thu Apr 11 15:49:10 2024
Optimization of C17H26O10, submit at Thu Apr 11 16:01:07 2024
Optimization of C16H26O9, submit at Thu Apr 11 16:12:46 2024
Optimization of C18H22O11, submit at Mon Apr 15 18:48:51 2024
Optimization of C16H20O10, submit at Mon Apr 15 19:13:33 2024
Optimization of C16H24O9, submit at Mon Apr 15 19:22:28 2024
Optimization of C32H32BrN3O, submit at Wed Apr 17 22:00:39 2024
Optimization of C30H29N3O2, submit at Wed Apr 17 22:05:29 2024
Optimization of C8H10, submit at Fri Apr 19 18:16:35 2024
Optimization of C24H36O5, submit at Sun Apr 21 11:50:51 2024
Optimization of C16H12O7, submit at Tue Apr 23 03:24:20 2024
Optimization of C30H48O3, submit at Tue Apr 23 20:19:29 2024
Optimization of C26H36O12, submit at Fri Apr 26 14:55:56 2024
Optimization of C21H20N4O2, submit at Sun Apr 28 08:16:49 2024
Optimization of CH4, submit at Mon Apr 29 14:59:35 2024
Optimization of C11H17N3O8, submit at Sun May 5 12:09:56 2024
Optimization of C21H24N4O3S, submit at Sun May 5 12:31:31 2024
Optimization of C19H16O3, submit at Mon May 6 10:23:41 2024
Optimization of C11H10, submit at Tue May 7 16:40:19 2024
Optimization of C11H22N2, submit at Wed May 22 11:01:36 2024
Optimization of C16H17F3N7O+, submit at Wed May 22 20:35:49 2024
Optimization of C24H27ClO6, submit at Mon May 27 10:27:08 2024
Optimization of C10H10, submit at Mon May 27 16:19:10 2024
Optimization of C10H5F17O3S, submit at Wed May 29 17:19:23 2024
Optimization of C9ClF17O, submit at Wed May 29 17:25:32 2024
Optimization of C8F15KO2, submit at Wed May 29 17:44:23 2024
Optimization of C10F21NaO3S, submit at Wed May 29 18:14:15 2024
Optimization of C14H16F17IN2O2S, submit at Wed May 29 18:35:01 2024
Optimization of C8H4F15NO2, submit at Wed May 29 18:47:19 2024
Optimization of C8H18+2, submit at Thu May 30 04:34:22 2024
Optimization of C18H13N3Na2O8S2, submit at Thu May 30 05:02:22 2024
Optimization of C4F9KO3S, submit at Thu May 30 15:00:22 2024
Optimization of C6F13KO3S, submit at Thu May 30 15:16:47 2024
Optimization of C8F15NaO2, submit at Thu May 30 15:39:05 2024
Optimization of C8F17KO3S, submit at Thu May 30 15:53:33 2024
Optimization of C10H20O2, submit at Tue Jun 4 10:10:47 2024
Optimization of C10H14O2, submit at Tue Jun 4 16:12:49 2024
Optimization of C4H11N5, submit at Mon Jun 17 09:51:28 2024
Optimization of C20H19N5O6, submit at Mon Jun 17 09:58:33 2024
Optimization of C2H6, submit at Mon Jun 17 17:40:22 2024
Optimization of C29H32N4O8, submit at Mon Jun 17 19:56:07 2024
Optimization of C10H16, submit at Tue Jun 18 18:27:10 2024
Optimization of C21H12O, submit at Fri Jun 21 21:34:43 2024
Optimization of C7H10N2O, submit at Sun Jun 23 18:23:22 2024
Optimization of C9H10O3, submit at Sun Jun 23 18:36:20 2024
Optimization of C18H35O2+, submit at Tue Jun 25 16:40:45 2024
Optimization of C24H20N4O4, submit at Mon Jul 1 09:33:50 2024
Optimization of C14H16N4, submit at Thu Jul 4 10:23:29 2024
Optimization of C7H8ClN, submit at Thu Jul 4 16:10:06 2024
Optimization of C24H24N2O7, submit at Fri Jul 5 11:16:34 2024
Optimization of C33H32ClFN4O4, submit at Tue Jul 9 11:08:30 2024
Optimization of C29H25ClFN3O3, submit at Tue Jul 9 15:36:10 2024
Optimization of C27H22O18, submit at Thu Jul 11 10:32:37 2024
Optimization of C26H22N2O4, submit at Thu Jul 11 21:31:30 2024
Optimization of C17H19NO3, submit at Fri Jul 12 17:54:35 2024
Optimization of C11H16O, submit at Tue Jul 16 16:18:34 2024
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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