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Producing local edge embeddings by global edge encoder

Status: Open.

#31 In MinkaiXu/GeoDiff;

· 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,.

Status: Open.

#30 In MinkaiXu/GeoDiff;

· kenan12138 opened on Mar 27, 2024

Data object was created by an older version of PyG

Status: Open.

#29 In MinkaiXu/GeoDiff;

· lajictw opened on Nov 9, 2023

reproduce the results of the paper

Status: Open.

#28 In MinkaiXu/GeoDiff;

· jia-975 opened on Oct 16, 2023

Image/structure from pkl file

Status: Open.

#27 In MinkaiXu/GeoDiff;

· Adamya113 opened on Aug 30, 2023

I got errors when training the code

Status: Open.

#26 In MinkaiXu/GeoDiff;

· jinzhuwei opened on Jun 21, 2023

Wrong double-bond configuration of generated conformer

Status: Open.

#25 In MinkaiXu/GeoDiff;

· Serious-Huang opened on May 17, 2023

Question about zero CoM

Status: Open.

#24 In MinkaiXu/GeoDiff;

· AndChenCM opened on May 5, 2023

Sample process

Status: Open.

#23 In MinkaiXu/GeoDiff;

· waitma opened on Apr 19, 2023

Generating Conformers from SMILES

Status: Open.

#21 In MinkaiXu/GeoDiff;

· dhruv-acog opened on Feb 24, 2023

The process of molecular production is too slow.

Status: Open.

#20 In MinkaiXu/GeoDiff;

· JackAILab opened on Feb 21, 2023

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

Status: Open.

#19 In MinkaiXu/GeoDiff;

· lonngxiang opened on Nov 11, 2022