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IndexError: tuple index out of range

Status: Open.

#55 In wengong-jin/hgraph2graph;

· FuFengShi opened on Apr 16, 2025

Add Support for molecular Dative Bonds

Status: Open.

#54 In wengong-jin/hgraph2graph;

· Daniel-ChenJH opened on Dec 23, 2024

Purpose of "assm_cands"

Status: Open.

#53 In wengong-jin/hgraph2graph;

· rogerthat-0420 opened on Oct 20, 2024

Cant kekulize molecule while running get_vocab.py

Status: Open.

#52 In wengong-jin/hgraph2graph;

· rogerthat-0420 opened on Jul 6, 2024

size mismatch when load chembl-pretrained ckpt

Status: Open.

#51 In wengong-jin/hgraph2graph;

· wuyongyi opened on Nov 23, 2023

Preprocess Error————————Broken pipe

Status: Open.

#50 In wengong-jin/hgraph2graph;

· yuzhou2333 opened on Nov 1, 2023

If anyone has done fine tuning, please share environment.yaml

Status: Open.

#49 In wengong-jin/hgraph2graph;

· rokieplayer20 opened on Aug 25, 2023

ZeroDivisionError when size smaller than 1000 using single mode

Status: Open.

#48 In wengong-jin/hgraph2graph;

· phys-chem opened on Jul 25, 2023

vocab size of data/chembl/vocab.txt: 5623, but when get_vocab.py the new vocab.txt is 5625

Status: Open.

#47 In wengong-jin/hgraph2graph;

· bsaldivaremc2 opened on Jul 13, 2023

Finetune result interpretation

Status: Open.

#46 In wengong-jin/hgraph2graph;

· orubaba opened on Jul 4, 2023

Some motifs in generated vocabulary are not parseable for rdkit

Status: Open.

#45 In wengong-jin/hgraph2graph;

· suyufeng opened on Nov 11, 2022

Pretrained chembl model requires old rdkit

Status: Open.

#44 In wengong-jin/hgraph2graph;

· roselightheart opened on Jul 18, 2022