Pangu Drug
盘古药物分子大模型DEMO
Pangu Drug Molecule Model
Accelerating drug discovery with AI
共进行10649次优化,点击可查看历史分子优化结果
Optimization of DrugBank DB00885
Optimization of DrugBank DB01025
Optimization of DrugBank DB01330
Optimization of DrugBank DB01766
Optimization of DrugBank DB02698
Optimization of DrugBank DB03699
Optimization of DrugBank DB03801
Optimization of DrugBank DB05053
Optimization of DrugBank DB05460
Optimization of DrugBank DB05585
Optimization of DrugBank DB07037
Optimization of DrugBank DB07169
Optimization of DrugBank DB07313
Optimization of DrugBank DB07569
Optimization of DrugBank DB07670
Optimization of DrugBank DB08074
Optimization of DrugBank DB08230
Optimization of DrugBank DB08393
Optimization of DrugBank DB08456
Optimization of DrugBank DB09002
Optimization of DrugBank DB11724
Optimization of DrugBank DB11995
Optimization of DrugBank DB13835
Optimization of DrugBank DB16144
Optimization of C8H11N, submit at Sat Oct 21 01:05:20 2023
Optimization of C19H26ClNO2, submit at Sat Oct 21 09:26:27 2023
Optimization of C20H22ClFN4O2, submit at Mon Oct 23 13:51:49 2023
Optimization of C21H31N3O4S3, submit at Mon Oct 23 20:06:55 2023
Optimization of C19H27N3O4S3, submit at Mon Oct 23 20:17:37 2023
Optimization of C23H35N3O4S3, submit at Mon Oct 23 20:29:02 2023
Optimization of C11H17*, submit at Wed Oct 25 13:30:22 2023
Optimization of C21H19BrN4O2, submit at Fri Oct 27 10:10:49 2023
Optimization of C27H29N5O3S, submit at Fri Oct 27 10:40:37 2023
Optimization of C13H13N3O3, submit at Fri Oct 27 10:42:49 2023
Optimization of C28H25+, submit at Sat Oct 28 14:27:52 2023
Optimization of C18H14BrCl2N5O2, submit at Sat Oct 28 17:32:15 2023
Optimization of C16H14ClNO2, submit at Mon Oct 30 19:31:33 2023
Optimization of C13H6F3N3O, submit at Mon Oct 30 20:02:22 2023
Optimization of C13H18N4O4, submit at Mon Oct 30 23:00:32 2023
Optimization of C12H8ClFN2O, submit at Tue Oct 31 09:06:33 2023
Optimization of C17H23NO, submit at Tue Oct 31 09:17:56 2023
Optimization of C23H25N3O4S2, submit at Tue Oct 31 09:35:36 2023
Optimization of C3H6, submit at Wed Nov 1 10:07:12 2023
Optimization of C6H7O2+3, submit at Thu Nov 2 10:44:01 2023
Optimization of C32H29ClF2N6O3, submit at Thu Nov 2 15:00:56 2023
Optimization of C20H14ClNO5S, submit at Fri Nov 3 11:32:34 2023
Optimization of C21H16O, submit at Sat Nov 4 17:47:11 2023
Optimization of C29H28N4O2S2, submit at Mon Nov 6 21:12:27 2023
Optimization of C28H25N3O2S2, submit at Mon Nov 6 21:18:05 2023
Optimization of C18H14, submit at Tue Nov 7 15:17:28 2023
Optimization of C15H12O, submit at Tue Nov 7 16:58:55 2023
Optimization of C16H13ClFN3O2, submit at Tue Nov 7 17:17:26 2023
Optimization of C54H92O23, submit at Thu Jan 1 08:00:00 1970
Optimization of C20H15ClN4O3, submit at Wed Mar 27 15:30:06 2024
Optimization of C11H12O2, submit at Thu Mar 28 08:47:32 2024
Optimization of C2H5NO4, submit at Thu Mar 28 10:42:39 2024
Optimization of C32H42O21, submit at Thu Mar 28 12:19:45 2024
Optimization of C22H36O, submit at Thu Mar 28 14:17:30 2024
Optimization of C25H28O13, submit at Fri Mar 29 14:39:33 2024
Optimization of C22H18O11, submit at Fri Mar 29 14:46:42 2024
Optimization of C24H30O11, submit at Fri Mar 29 15:32:41 2024
Optimization of C26H30O13, submit at Fri Mar 29 16:06:56 2024
Optimization of C16H10F2N6O, submit at Mon Apr 1 15:27:29 2024
Optimization of C8H16N2, submit at Tue Apr 2 15:30:23 2024
Optimization of C33H36N6O3S, submit at Tue Apr 2 15:49:26 2024
Optimization of C13H16FNO2, submit at Sat Apr 6 23:25:49 2024
Optimization of C20H12, submit at Mon Apr 8 03:35:22 2024
Optimization of C10H16Br+, submit at Tue Apr 9 10:15:53 2024
Optimization of C16H24O10, submit at Thu Apr 11 15:34:13 2024
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
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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