Ecosyste.ms: Issues

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GitHub / cvignac/DiGress issues and pull requests

#97 - Normalization for congress

Issue - State: open - Opened by liun-online 9 months ago

#96 - Need some help of conditional generation

Issue - State: closed - Opened by Young0403Ling 9 months ago

#95 - Fixed bug

Pull Request - State: closed - Opened by olgatticus 9 months ago - 1 comment

#94 - How much memory is required for data preprocessing?

Issue - State: open - Opened by SophieSarceau 9 months ago - 1 comment

#92 - Get the prev sample like in diffusers API

Issue - State: open - Opened by Abc11c 10 months ago

#91 - problems with loading the checkpoints for planar.ckpt?

Issue - State: open - Opened by xinyue96 11 months ago

#89 - bug found for Error: datamodule has no len()

Issue - State: open - Opened by BrandeisPatrick 11 months ago

#88 - Generate graphs by text

Issue - State: open - Opened by Jary-lrj 11 months ago - 2 comments

#87 - Question about the architecture (graphTransformer)

Issue - State: open - Opened by Forbu about 1 year ago - 2 comments

#86 - Reporting KL divergence loss for training step

Issue - State: open - Opened by chinmay5 about 1 year ago

#85 - I will appreciate it if you could send me a mail

Issue - State: open - Opened by ge200012 about 1 year ago - 2 comments

#84 - I would very much appreciate it if you shared

Issue - State: open - Opened by ge200012 about 1 year ago

#83 - Something wrong with utils.EMA

Issue - State: open - Opened by xinyangATK about 1 year ago - 2 comments

#79 - About node feature in non-molecular datasets

Issue - State: open - Opened by Jary-lrj about 1 year ago

#78 - Checkpoints for other datasets

Issue - State: open - Opened by Ripper346 about 1 year ago

#77 - About experiment on Comm20.

Issue - State: open - Opened by xinyangATK about 1 year ago - 2 comments

#76 - meet error while running

Issue - State: closed - Opened by Icamd about 1 year ago

#75 - wrong with No process_path using dataset=guacamol

Issue - State: closed - Opened by yuzhou2333 about 1 year ago - 4 comments

#74 - About nodes not connected

Issue - State: open - Opened by PaulLiuYZ about 1 year ago

#73 - Import problem in training stage

Issue - State: open - Opened by lajictw about 1 year ago - 3 comments

#72 - About the checkpoint of DiGress on QM9

Issue - State: open - Opened by ventr1c about 1 year ago

#71 - Why extra_features not used in the regressor?

Issue - State: open - Opened by Antoninnnn over 1 year ago - 1 comment

#70 - ModelCheckpoint fail to store

Issue - State: open - Opened by se7esx over 1 year ago - 5 comments

#69 - MOSES node type distribution doesn't sum to one

Issue - State: closed - Opened by asiraudin over 1 year ago - 1 comment

#68 - Conditional Graph Generation Issue

Issue - State: open - Opened by yikang613 over 1 year ago - 4 comments

#67 - Validating on test data

Issue - State: closed - Opened by AndreasBergmeister over 1 year ago - 1 comment

#65 - Reproducing DiGress results on the Community-20 dataset

Issue - State: closed - Opened by GhaliaRehawi over 1 year ago - 5 comments

#63 - Discrepancy between the paper and the guidance branch's readme?

Issue - State: closed - Opened by Asduffo over 1 year ago - 1 comment

#62 - Computing likelihood

Issue - State: open - Opened by ex3ploiter over 1 year ago - 1 comment

#61 - Discrepancy for MOSES dataset evaluation protocol

Issue - State: closed - Opened by qiyan98 over 1 year ago - 2 comments

#60 - Reproduce SMILES strings from the PyTorch_Geometric Dataset

Issue - State: closed - Opened by TianBian95 over 1 year ago - 2 comments

#59 - Checkpoint for QM9

Issue - State: closed - Opened by jzenn over 1 year ago - 3 comments

#58 - Questions on the exact setup used for the experiments

Issue - State: open - Opened by Asduffo over 1 year ago - 1 comment

#57 - Customized heterogeneous graph generation

Issue - State: open - Opened by yudizhangzyd over 1 year ago

#56 - Repeat that there is a problem with your work

Issue - State: open - Opened by clclclaiggg over 1 year ago - 2 comments

#55 - evaluate_guidance_sampling.yaml

Issue - State: open - Opened by vincenttsai2015 over 1 year ago

#54 - Confused about the sampling process

Issue - State: closed - Opened by waitma over 1 year ago - 5 comments

#53 - novelty in QM9 dataset is so small, why?

Issue - State: closed - Opened by FairyFali over 1 year ago - 1 comment

#51 - Validation results show nan all the time

Issue - State: closed - Opened by FairyFali over 1 year ago - 4 comments

#50 - questions about the hyperparameters

Issue - State: closed - Opened by koalaaaaaaaaa over 1 year ago - 2 comments

#49 - Does the graph transformer take graph connectivity into account?

Issue - State: closed - Opened by nihalsid over 1 year ago - 2 comments

#48 - Segmentation fault in the code aligning molecules for visualization

Issue - State: closed - Opened by najwalb over 1 year ago - 8 comments

#47 - Bug in self-attention?

Issue - State: closed - Opened by AndreasBergmeister over 1 year ago - 2 comments

#46 - pytorch_lightning.utilities.exceptions.MisconfigurationException

Issue - State: closed - Opened by vincenttsai2015 over 1 year ago - 2 comments

#45 - Approximation of regressor guidance

Issue - State: open - Opened by haoming-codes over 1 year ago - 4 comments

#44 - Questions about Metrics (1. Scaf on MOSES & 2. FCD on GuacaMol)

Issue - State: closed - Opened by TianBian95 over 1 year ago - 1 comment

#42 - Extending molecule with partial charges

Issue - State: closed - Opened by najwalb over 1 year ago - 2 comments

#41 - beta_bar_t equation, might be error in paper

Issue - State: closed - Opened by weixin0107 over 1 year ago - 1 comment

#40 - New dataset - graph labels

Issue - State: closed - Opened by feandalo almost 2 years ago - 3 comments

#39 - Cross-entropy in minibatching

Issue - State: closed - Opened by najwalb almost 2 years ago - 5 comments

#38 - Substructure conditioned generation

Issue - State: open - Opened by islote almost 2 years ago - 1 comment

#37 - Docker image

Issue - State: open - Opened by joschka-gross almost 2 years ago - 2 comments

#36 - KNodeCycles.k6_cycle correctness

Issue - State: closed - Opened by haoming-codes almost 2 years ago - 1 comment

#35 - Use of self.T when computing the L_t terms in the loss

Issue - State: closed - Opened by najwalb almost 2 years ago - 4 comments

#34 - For the given value on nodes and edges

Issue - State: closed - Opened by DDigimon almost 2 years ago - 2 comments

#33 - Question about equation 5

Issue - State: closed - Opened by najwalb almost 2 years ago - 2 comments

#32 - How long does the code run in your GPU server?

Issue - State: open - Opened by FairyFali almost 2 years ago - 5 comments

#31 - Regressor model and extra features

Issue - State: closed - Opened by haoming-codes almost 2 years ago - 3 comments

#30 - how to change batch size

Issue - State: closed - Opened by lihuiliullh almost 2 years ago - 2 comments

#29 - problem in multi-GPU setting

Issue - State: closed - Opened by zzzzihyun almost 2 years ago - 1 comment

#28 - training loss

Issue - State: closed - Opened by lihuiliullh almost 2 years ago - 3 comments

#27 - None gradients for 'y' layers

Issue - State: closed - Opened by najwalb almost 2 years ago - 4 comments

#26 - what is compute_extra_data?

Issue - State: closed - Opened by lihuiliullh almost 2 years ago - 1 comment

#25 - Implementation of FiLM y to E?

Issue - State: closed - Opened by najwalb almost 2 years ago - 2 comments

#24 - Added instructions for filtering guacamol

Issue - State: closed - Opened by anar-rzayev almost 2 years ago

#23 - What is wandb used for

Issue - State: closed - Opened by lihuiliullh almost 2 years ago - 1 comment

#22 - what is orca.cpp used for?

Issue - State: closed - Opened by lihuiliullh almost 2 years ago - 1 comment

#21 - DiGress for another datasets

Issue - State: closed - Opened by anar-rzayev almost 2 years ago - 3 comments

#20 - Filtered guacamol

Issue - State: closed - Opened by TianBian95 almost 2 years ago - 3 comments

#19 - Invalid Molecule Obtained

Issue - State: closed - Opened by anar-rzayev almost 2 years ago - 2 comments

#16 - Question about FiLM layer

Issue - State: closed - Opened by LeavesLi1015 almost 2 years ago - 1 comment

#15 - Conditional Generation based on Subgraph

Issue - State: closed - Opened by twidatalla almost 2 years ago - 3 comments

#14 - Logits vs probs when computing NLL?

Issue - State: closed - Opened by najwalb almost 2 years ago - 3 comments

#13 - RuntimeError: probability tensor contains either `inf`, `nan` or element < 0

Issue - State: closed - Opened by mufeili almost 2 years ago - 4 comments

#12 - loading generated_samples txt files

Issue - State: closed - Opened by jks17 almost 2 years ago - 2 comments

#11 - A Little Question about you paper

Issue - State: closed - Opened by LeavesLi1015 almost 2 years ago - 2 comments

#10 - where is ./util/orca

Issue - State: closed - Opened by yangzhao1230 almost 2 years ago - 3 comments

#9 - The checkpoint of Guacamol dataset

Issue - State: closed - Opened by Layne-Huang almost 2 years ago - 4 comments

#8 - Training the regressor guidance

Issue - State: closed - Opened by haoming-codes almost 2 years ago - 2 comments

#7 - Deriving the closed-form of the conditional true posterior

Issue - State: closed - Opened by najwalb almost 2 years ago - 1 comment

#6 - Reproducing NLL on QM9

Issue - State: closed - Opened by pgmikhael almost 2 years ago - 5 comments

#5 - Loss Function

Issue - State: closed - Opened by haoming-codes almost 2 years ago - 8 comments

#4 - Computing node and edge features

Issue - State: closed - Opened by haoming-codes almost 2 years ago - 1 comment

#3 - How to run the code in multi-gpu mode

Issue - State: closed - Opened by Layne-Huang almost 2 years ago - 6 comments

#1 - Upgrade PyTorch Lightning version to 1.7.2 from 1.7

Pull Request - State: closed - Opened by sriramdvt about 2 years ago - 1 comment