MinkaiXu/GeoDiff

Issues

• Producing local edge embeddings by global edge encoder

  #31 opened a month ago by joneswong
  0

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

  #30 opened 6 months ago by nmsl121381
  0

• reproduce the results of the paper

  #28 opened a year ago by jia-975
  2

• Data object was created by an older version of PyG

  #29 opened 10 months ago by lajictw
  2

• I got errors when training the code

  #26 opened a year ago by jinzhuwei
  1

• Image/structure from pkl file

  #27 opened a year ago by Adamya113
  0

• I got errors when training the code

  #4 opened a year ago by nickspark
  15

• About the evaluation result

  #22 opened a year ago by CaptainCuong
  4

• Wrong double-bond configuration of generated conformer

  #25 opened a year ago by Serious-Huang
  0

• The process of molecular production is too slow.

  #20 opened 2 years ago by JackAILab
  12

• Question about zero CoM

  #24 opened a year ago by AndChenCM
  0

• Sample process

  #23 opened a year ago by waitma
  0

• Questions about the rescale problem

  #18 opened 2 years ago by Frankie123421
  2

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

  #19 opened 2 years ago by lonngxiang
  4

• Global and Local structure

  #16 opened 2 years ago by CaptainCuong
  3

• Generating Conformers from SMILES

  #21 opened 2 years ago by dhruv-acog
  1

• strange thing when sampling

  #15 opened a year ago by mayz20
  1

• protein conformation

  #13 opened a year ago by orgw
  1

• Typo in get_edge_encoder

  #12 opened a year ago by natolambert
  1

• Disagreement with paper

  #11 opened a year ago by EDAPINENUT
  6

• Why use AddHigherOrderEdges() in sampling but not in training?

  #10 opened a year ago by Layne-Huang
  6

• Using GeoDiff on mac

  #6 opened a year ago by danielm322
  1

• The package version is too old

  #3 opened a year ago by nickspark
  1

• Edge encoder shared between global and local

  #2 opened a year ago by torfjelde
  4

• m_{ij} notation in GNN architecture

  #17 opened 2 years ago by CaptainCuong
  1

• Question about the theory in the paper

  #14 opened 2 years ago by Frankie123421
  12

• 参数设置

  #9 opened 2 years ago by shoujiang
  2

• pos_ref and 3D visualization issues

  #8 opened 2 years ago by Layne-Huang
  0

• Question about GFN and GeoDiff-A Implementation

  #7 opened 2 years ago by lyzustc
  2

• Provide data process script

  #5 opened 2 years ago by Layne-Huang
  4

• Can not open the google drive download link for preprocessed dataset

  #1 opened 2 years ago by klightz
  2