Issues

• Producing local edge embeddings by global edge encoder

  MinkaiXu/GeoDiff#31 · Filter by author joneswong opened on Aug 25, 2024

• could you please upgrade the version of the code to fit the new version of pyg ? i always get the error,.

  MinkaiXu/GeoDiff#30 · Filter by author kenan12138 opened on Mar 27, 2024
  2

• Data object was created by an older version of PyG

  MinkaiXu/GeoDiff#29 · Filter by author lajictw opened on Nov 9, 2023
  2

• reproduce the results of the paper

  MinkaiXu/GeoDiff#28 · Filter by author jia-975 opened on Oct 16, 2023
  2

• Image/structure from pkl file

  MinkaiXu/GeoDiff#27 · Filter by author Adamya113 opened on Aug 30, 2023
  1

• I got errors when training the code

  MinkaiXu/GeoDiff#26 · Filter by author jinzhuwei opened on Jun 21, 2023
  1

• Wrong double-bond configuration of generated conformer

  MinkaiXu/GeoDiff#25 · Filter by author Serious-Huang opened on May 17, 2023

• Question about zero CoM

  MinkaiXu/GeoDiff#24 · Filter by author AndChenCM opened on May 5, 2023

• Sample process

  MinkaiXu/GeoDiff#23 · Filter by author waitma opened on Apr 19, 2023

• Generating Conformers from SMILES

  MinkaiXu/GeoDiff#21 · Filter by author dhruv-acog opened on Feb 24, 2023
  1

• The process of molecular production is too slow.

  MinkaiXu/GeoDiff#20 · Filter by author JackAILab opened on Feb 21, 2023
  12

• test.py，How do you specify a specific molecule simles to generating？

  MinkaiXu/GeoDiff#19 · Filter by author lonngxiang opened on Nov 11, 2022
  4

• Questions about the rescale problem

  MinkaiXu/GeoDiff#18 · Filter by author Frankie123421 opened on Nov 3, 2022
  2

• Global and Local structure

  MinkaiXu/GeoDiff#16 · Filter by author CaptainCuong opened on Oct 30, 2022
  3