Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10480次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB01066
Optimization of DrugBank DB01145
Optimization of DrugBank DB01251
Optimization of DrugBank DB02817
Optimization of DrugBank DB03970
Optimization of DrugBank DB04146
Optimization of DrugBank DB04461
Optimization of DrugBank DB04946
Optimization of DrugBank DB06145
Optimization of DrugBank DB06827
Optimization of DrugBank DB07349
Optimization of DrugBank DB07454
Optimization of DrugBank DB08192
Optimization of DrugBank DB08605
Optimization of DrugBank DB11867
Optimization of DrugBank DB12602
Optimization of DrugBank DB12770
Optimization of DrugBank DB14136
Optimization of DrugBank DB14631
Optimization of DrugBank DB14671
Optimization of DrugBank DB14706
Optimization of DrugBank DB15630
Optimization of DrugBank DB15764
Optimization of DrugBank DB16304
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
Optimization of C11H17*, submit at Mon Sep 25 14:25:49 2023
Optimization of C17H16ClN3O, submit at Tue Sep 26 00:01:49 2023
Optimization of C6H18O+4, submit at Tue Sep 26 11:56:54 2023
Optimization of C6H7NO, submit at Thu Sep 28 11:21:09 2023
Optimization of C2H6, submit at Mon Oct 2 22:43:52 2023
Optimization of C20H18FN7O2, submit at Mon Oct 2 22:46:56 2023
Optimization of C25H27N5O2, submit at Mon Oct 2 22:58:36 2023
Optimization of C21H27N7O2, submit at Tue Oct 3 00:23:24 2023
Optimization of C21H22N6O2, submit at Tue Oct 3 09:25:38 2023
Optimization of C21H23N5O4, submit at Tue Oct 3 09:43:02 2023
Optimization of C19H23N5O3, submit at Wed Oct 4 10:24:04 2023
Optimization of C21H27N5O3, submit at Wed Oct 4 10:30:42 2023
Optimization of C19H22N6O2, submit at Wed Oct 4 10:42:48 2023
Optimization of C20H18FN5O2, submit at Wed Oct 4 10:54:45 2023
Optimization of C18H21NO4S, submit at Wed Oct 4 15:20:02 2023
Optimization of C21H28N6O3, submit at Wed Oct 4 20:41:40 2023
Optimization of C22H21N5O3, submit at Thu Oct 5 00:06:14 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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