Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10191次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00498
Optimization of DrugBank DB00631
Optimization of DrugBank DB01731
Optimization of DrugBank DB01764
Optimization of DrugBank DB02080
Optimization of DrugBank DB02424
Optimization of DrugBank DB02920
Optimization of DrugBank DB03555
Optimization of DrugBank DB04723
Optimization of DrugBank DB05868
Optimization of DrugBank DB06993
Optimization of DrugBank DB07466
Optimization of DrugBank DB07846
Optimization of DrugBank DB08039
Optimization of DrugBank DB08069
Optimization of DrugBank DB08266
Optimization of DrugBank DB11623
Optimization of DrugBank DB11858
Optimization of DrugBank DB12111
Optimization of DrugBank DB13135
Optimization of DrugBank DB13449
Optimization of DrugBank DB14096
Optimization of DrugBank DB16052
Optimization of DrugBank DB16056
Optimization of C5H12, submit at Thu Mar 30 17:51:17 2023
Optimization of C6H14, submit at Fri Mar 31 09:32:17 2023
Optimization of C16H25N3O, submit at Fri Mar 31 14:24:42 2023
Optimization of C9H10, submit at Sun Apr 2 10:19:33 2023
Optimization of C9H11FN6O4, submit at Fri Apr 7 14:39:30 2023
Optimization of C23H26O8, submit at Fri Apr 14 15:49:37 2023
Optimization of C25H30ClFN5O2P, submit at Wed Apr 19 09:37:26 2023
Optimization of C20H20F3NO4, submit at Wed Apr 19 14:35:15 2023
Optimization of C54H28N4O2S4+2, submit at Wed Apr 19 15:08:22 2023
Optimization of C33H40N2O9, submit at Wed Apr 19 16:10:40 2023
Optimization of C21H23N3, submit at Wed Apr 19 16:14:34 2023
Optimization of C15H21NO4S, submit at Wed Apr 19 18:28:17 2023
Optimization of C33H28F2N4O3S, submit at Thu Apr 20 09:20:49 2023
Optimization of C36H46N8O3, submit at Thu Apr 20 11:13:27 2023
Optimization of C18H20N4O2, submit at Fri Apr 21 14:39:54 2023
Optimization of C22H20ClN4O4-, submit at Sun Apr 23 15:52:07 2023
Optimization of C7H7ClN2O4, submit at Mon Apr 24 11:04:54 2023
Optimization of C17H19FO2, submit at Mon Apr 24 13:19:24 2023
Optimization of C24H32N6O, submit at Tue Apr 25 09:41:39 2023
Optimization of C30H22, submit at Wed Apr 26 09:58:42 2023
Optimization of C32H41FN6O3, submit at Wed Apr 26 13:54:12 2023
Optimization of C9H8O4, submit at Thu Apr 27 09:58:12 2023
Optimization of C11H11F2N5, submit at Thu Apr 27 10:59:58 2023
Optimization of H3N, submit at Thu Apr 27 14:25:30 2023
Optimization of C16H18N2O4S, submit at Sat Apr 29 13:14:33 2023
Optimization of C19H20ClN3O5S, submit at Sat Apr 29 17:58:35 2023
Optimization of C13H14S, submit at Fri May 5 15:16:45 2023
Optimization of C15H28, submit at Sat May 6 15:26:57 2023
Optimization of C41H42FN5O7, submit at Mon May 8 10:07:18 2023
Optimization of C10H14, submit at Mon May 8 14:24:11 2023
Optimization of C10H6Cl2, submit at Mon May 8 17:58:25 2023
Optimization of C20H21N3O3, submit at Tue May 9 08:51:00 2023
Optimization of C40H54F2N10O10, submit at Tue May 9 09:28:57 2023
Optimization of C31H31ClN4O5, submit at Tue May 9 17:13:01 2023
Optimization of C12H22O35S8, submit at Sun May 14 19:25:47 2023
Optimization of C9H10, submit at Thu May 18 14:32:19 2023
Optimization of CH4, submit at Fri May 19 16:49:49 2023
Optimization of C6H7NO2S, submit at Fri May 19 17:48:23 2023
Optimization of C2H2, submit at Sat May 20 10:19:06 2023
Optimization of C34H48N2O10S, submit at Tue May 23 15:03:30 2023
Optimization of C12H16, submit at Tue May 23 15:11:11 2023
Optimization of C25H17ClF3N5O3S, submit at Wed May 24 17:55:31 2023
Optimization of C30H38N8O3, submit at Thu May 25 13:57:40 2023
Optimization of C18H16ClN5, submit at Fri May 26 09:53:44 2023
Optimization of C2H6, submit at Fri May 26 19:18:04 2023
Optimization of C14H24, submit at Fri May 26 20:12:46 2023
Optimization of H2ClNOS, submit at Wed May 31 11:08:42 2023
Optimization of C8H9NO2, submit at Wed May 31 17:49:14 2023
Optimization of C20H25*, submit at Fri Jun 2 09:25:36 2023
Optimization of C16H22, submit at Tue Jun 6 11:02:10 2023
Optimization of C9H9N3S, submit at Tue Jun 6 20:12:09 2023
Optimization of C15H32, submit at Wed Jun 7 10:39:51 2023
Optimization of C8H16, submit at Wed Jun 7 15:43:34 2023
Optimization of C14H10O5, submit at Wed Jun 7 16:15:48 2023
Optimization of C9H13NO3, submit at Wed Jun 7 16:27:36 2023
Optimization of C7H8N2O2, submit at Wed Jun 7 16:39:13 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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