Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10461次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00418
Optimization of DrugBank DB00842
Optimization of DrugBank DB01057
Optimization of DrugBank DB01096
Optimization of DrugBank DB01321
Optimization of DrugBank DB01668
Optimization of DrugBank DB02378
Optimization of DrugBank DB04256
Optimization of DrugBank DB04800
Optimization of DrugBank DB06677
Optimization of DrugBank DB06957
Optimization of DrugBank DB07159
Optimization of DrugBank DB07491
Optimization of DrugBank DB07626
Optimization of DrugBank DB08835
Optimization of DrugBank DB09101
Optimization of DrugBank DB11672
Optimization of DrugBank DB11705
Optimization of DrugBank DB12803
Optimization of DrugBank DB13275
Optimization of DrugBank DB15405
Optimization of DrugBank DB15467
Optimization of DrugBank DB16066
Optimization of DrugBank DB16241
Optimization of C21H17Cl3N4O2, submit at Mon Sep 11 11:46:58 2023
Optimization of C21H18FN3O2, submit at Mon Sep 11 11:54:47 2023
Optimization of C21H18ClN3O2, submit at Mon Sep 11 11:59:26 2023
Optimization of C19H18ClN5O2, submit at Mon Sep 11 12:41:38 2023
Optimization of C22H20N4O4, submit at Mon Sep 11 12:51:39 2023
Optimization of C6H6O, submit at Mon Sep 11 18:49:53 2023
Optimization of C22H22N4O3, submit at Mon Sep 11 22:17:52 2023
Optimization of C23H24N4O3, submit at Mon Sep 11 23:17:59 2023
Optimization of C23H24N4O4, submit at Mon Sep 11 23:23:48 2023
Optimization of C22H21ClN4O3, submit at Mon Sep 11 23:31:26 2023
Optimization of C11H14, submit at Tue Sep 12 09:57:23 2023
Optimization of C4H10, submit at Tue Sep 12 10:12:38 2023
Optimization of C23H23N5O2, submit at Tue Sep 12 14:43:29 2023
Optimization of C23H23N5O2, submit at Tue Sep 12 14:45:33 2023
Optimization of C24H26N4O2, submit at Tue Sep 12 15:01:47 2023
Optimization of C20H24N4O3, submit at Tue Sep 12 15:14:37 2023
Optimization of C20H24N5O2+, submit at Tue Sep 12 15:25:15 2023
Optimization of C22H21N5O2, submit at Tue Sep 12 15:35:37 2023
Optimization of C23H24N4O3, submit at Tue Sep 12 15:47:27 2023
Optimization of C12H16N2OS+2, submit at Wed Sep 13 16:31:29 2023
Optimization of C22H35N, submit at Thu Sep 14 22:56:16 2023
Optimization of C17H15Cl2N5, submit at Fri Sep 15 17:00:26 2023
Optimization of C7H12O2, submit at Fri Sep 15 17:01:42 2023
Optimization of C7H12O2, submit at Fri Sep 15 17:01:43 2023
Optimization of C19H16ClFN6O, submit at Sat Sep 16 10:09:08 2023
Optimization of C22H21ClN4O2, submit at Sat Sep 16 10:17:47 2023
Optimization of C21H21ClN4O, submit at Sat Sep 16 10:28:26 2023
Optimization of C24H26N4O5, submit at Sat Sep 16 10:45:20 2023
Optimization of C14H21N5O5S, submit at Sat Sep 16 10:56:30 2023
Optimization of C23H23N5O3, submit at Sat Sep 16 12:32:49 2023
Optimization of C23H22N4O4, submit at Sat Sep 16 12:53:53 2023
Optimization of C2H5NO2, submit at Mon Sep 18 02:26:21 2023
Optimization of C32H32BrN7O5, submit at Mon Sep 18 11:24:22 2023
Optimization of C28H38BrN3O2, submit at Mon Sep 18 16:33:58 2023
Optimization of C15H18ClNO, submit at Tue Sep 19 09:07:27 2023
Optimization of C30H31BrN6O4, submit at Tue Sep 19 09:54:11 2023
Optimization of C78H114, submit at Tue Sep 19 11:40:02 2023
Optimization of C78H114, submit at Tue Sep 19 11:40:02 2023
Optimization of C76H112IP, submit at Tue Sep 19 11:40:36 2023
Optimization of C13H17N, submit at Tue Sep 19 14:08:52 2023
Optimization of C14H21N2O2S+3, submit at Tue Sep 19 21:41:35 2023
Optimization of C25H21FN2O2, submit at Wed Sep 20 08:14:58 2023
Optimization of C8H10, submit at Wed Sep 20 15:36:31 2023
Optimization of C30H28BrN5O6, submit at Thu Sep 21 10:02:54 2023
Optimization of C30H36N10O2, submit at Thu Sep 21 10:43:50 2023
Optimization of C34H58N2O2+2, submit at Thu Sep 21 15:05:23 2023
Optimization of C30H36N10O2, submit at Thu Sep 21 16:41:06 2023
Optimization of C39H40BrFN6O6, submit at Thu Sep 21 16:50:38 2023
Optimization of C26H32O11, submit at Thu Sep 21 19:26:19 2023
Optimization of C39H38BrN5O9, submit at Fri Sep 22 07:52:15 2023
Optimization of C41H37BrN4O9, submit at Fri Sep 22 08:47:57 2023
Optimization of C33H30BrN5O4, submit at Fri Sep 22 09:30:29 2023
Optimization of C42H41BrN4O9, submit at Fri Sep 22 10:37:28 2023
Optimization of C23H24FN5O2, submit at Fri Sep 22 11:30:59 2023
Optimization of C39H32BrFN6O4, submit at Fri Sep 22 14:35:45 2023
Optimization of C4H3NO2S, submit at Fri Sep 22 15:55:59 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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