Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10126次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00233
Optimization of DrugBank DB00463
Optimization of DrugBank DB00916
Optimization of DrugBank DB00995
Optimization of DrugBank DB01706
Optimization of DrugBank DB01857
Optimization of DrugBank DB01990
Optimization of DrugBank DB02495
Optimization of DrugBank DB02694
Optimization of DrugBank DB03327
Optimization of DrugBank DB03612
Optimization of DrugBank DB03705
Optimization of DrugBank DB04089
Optimization of DrugBank DB04713
Optimization of DrugBank DB05864
Optimization of DrugBank DB07107
Optimization of DrugBank DB07247
Optimization of DrugBank DB07277
Optimization of DrugBank DB07336
Optimization of DrugBank DB07349
Optimization of DrugBank DB07431
Optimization of DrugBank DB08346
Optimization of DrugBank DB08967
Optimization of DrugBank DB09081
Optimization of DrugBank DB09225
Optimization of DrugBank DB12293
Optimization of DrugBank DB13475
Optimization of DrugBank DB13488
Optimization of DrugBank DB14761
Optimization of DrugBank DB14765
Optimization of DrugBank DB15136
Optimization of DrugBank DB16039
Optimization of DrugBank DB16070
Optimization of C18H16BrN3O, submit at Mon Feb 6 23:40:00 2023
Optimization of C70H145N5O5, submit at Wed Feb 8 06:09:56 2023
Optimization of C11H15NO, submit at Wed Feb 8 07:25:26 2023
Optimization of C7H14, submit at Wed Feb 8 09:34:00 2023
Optimization of C23H32F3N5O4, submit at Wed Feb 8 16:08:35 2023
Optimization of C21H22N6O, submit at Sat Feb 11 17:28:33 2023
Optimization of C16H17NO, submit at Sat Feb 11 17:46:58 2023
Optimization of C9H13NO, submit at Sat Feb 11 19:39:28 2023
Optimization of C17H17F3N4O2, submit at Mon Feb 13 11:29:38 2023
Optimization of C22H25N3O2, submit at Wed Feb 15 14:04:29 2023
Optimization of C3H8, submit at Wed Feb 15 17:37:43 2023
Optimization of C20H19F2N3O3, submit at Thu Feb 16 00:56:25 2023
Optimization of C7H8, submit at Fri Feb 17 10:55:45 2023
Optimization of C21H20N2O2, submit at Fri Feb 17 11:05:43 2023
Optimization of C30H24FN3O4, submit at Fri Feb 17 11:17:26 2023
Optimization of C17H15N5O, submit at Fri Feb 17 14:06:04 2023
Optimization of C31H38N8O3, submit at Fri Feb 17 14:16:42 2023
Optimization of C19H15ClF5N3O4, submit at Tue Feb 21 14:58:40 2023
Optimization of C26H34F2N6O4S, submit at Tue Feb 21 18:04:05 2023
Optimization of C6H13N, submit at Sat Feb 25 08:19:57 2023
Optimization of C19H26, submit at Sat Feb 25 11:58:55 2023
Optimization of C22H19N3O3S, submit at Sun Feb 26 06:55:47 2023
Optimization of C6H6, submit at Mon Feb 27 14:44:34 2023
Optimization of C14H10, submit at Mon Feb 27 17:05:27 2023
Optimization of C17H24O2, submit at Tue Feb 28 17:35:27 2023
Optimization of C5H10, submit at Wed Mar 1 11:00:59 2023
Optimization of C16H17NO2, submit at Wed Mar 1 17:20:16 2023
Optimization of C10H18, submit at Thu Mar 2 11:25:03 2023
Optimization of C14H17NO2, submit at Fri Mar 3 14:33:18 2023
Optimization of C22H17N3O6, submit at Fri Mar 3 20:00:25 2023
Optimization of C25H28N8, submit at Wed Mar 8 09:40:31 2023
Optimization of C13H10, submit at Wed Mar 8 17:47:32 2023
Optimization of C16H13NO, submit at Thu Mar 9 18:00:19 2023
Optimization of C16H12O3, submit at Thu Mar 9 18:57:44 2023
Optimization of C5H11N3, submit at Tue Mar 14 15:07:51 2023
Optimization of C22H19N3O2, submit at Tue Mar 14 18:35:30 2023
Optimization of C11H10, submit at Thu Mar 16 12:03:24 2023
Optimization of C20H20, submit at Thu Mar 16 15:03:54 2023
Optimization of C20H22N4O4, submit at Fri Mar 17 17:06:52 2023
Optimization of C14H18O3, submit at Fri Mar 17 18:05:21 2023
Optimization of C25H27FN2O3, submit at Fri Mar 17 18:15:46 2023
Optimization of C15H26, submit at Fri Mar 17 20:36:46 2023
Optimization of C12H10, submit at Sun Mar 19 15:12:40 2023
Optimization of CH2O, submit at Tue Mar 21 09:36:06 2023
Optimization of C23H27N5O2, submit at Wed Mar 22 09:39:03 2023
Optimization of C22H26N6O2, submit at Wed Mar 22 10:19:52 2023
Optimization of C10H8, submit at Wed Mar 22 19:23:42 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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