molecularsets/moses

Issues

• Error installing molsets due to dependency pomegranate==0.12.0

  #104 opened 2 years ago by dbhaskar92
  2

• some issues of eval.py

  #110 opened 8 months ago by someonebuymelon
  0

• Error occurs when loading datasets, seems a gzip error

  #102 opened 2 years ago by CandyClass
  10

• Boron in MOSES

  #109 opened 9 months ago by shozebhaider
  0

• Incompatibility with pandas 2.0

  #108 opened a year ago by gregory-kyro
  0

• AttributeError: 'DataFrame' object has no attribute 'append'

  #107 opened a year ago by 28YOGESH
  1

• Distributed torch evaluation

  #106 opened a year ago by dgm2
  0

• Any recent update?

  #105 opened a year ago by atabeyunlu
  0

• why does the variable 'vocab' there have the property - 'vectors'?

  #100 opened 2 years ago by HandanDiana
  1

• JTN-VAE model implementation

  #103 opened 2 years ago by gcc17
  0

• ChemVAE support

  #101 opened 2 years ago by Naghipourfar
  0

• moses.get_dataset('train') -> BadGzipFile: Not a gzipped file (b've')

  #96 opened 3 years ago by UnixJunkie
  4

• Is the validity check of smiles in moses the same as RDKit?

  #99 opened 2 years ago by amine179
  0

• RuntimeError: 'lengths' argument should be a 1D CPU int64 tensor, but got 1D cuda:1 Long tensor

  #97 opened 3 years ago by viko-3
  4

• On which distribution and version is 'pip install molsets' supposed to work?

  #93 opened 3 years ago by UnixJunkie
  0

• Not a gzipped file when get_dataset()

  #92 opened 3 years ago by charlesxu90
  1

• Regarding Vocabulary

  #46 opened 4 years ago by meghanakanapaneni
  2

• Training ORGAN on cuda error

  #91 opened 4 years ago by Binbose
  0

• Aging, Epigenetic Drift and Gene Expression.

  #90 opened 4 years ago by AlexanderMath
  0

• Make compatible with newer versions of torch

  #81 opened 4 years ago by Dom303
  6

• Regarding of tests/test_metrics.py

  #89 opened 4 years ago by hmkim
  0

• Comment on this database.

  #87 opened 4 years ago by Kexin-Zhang-UCAS
  0

• multi gpu experiments

  #83 opened 4 years ago by trinayan
  2

• How to generate compounds from single smiles string?

  #41 opened 4 years ago by abhik1368
  7

• Pre-trained models or model checkpoint

  #82 opened 4 years ago by chetankm1992
  0

• Long time for training

  #47 opened 4 years ago by meghanakanapaneni
  2

• Could not find a version that satisfies the requirement torch>=1.1.0

  #57 opened 4 years ago by data-datum
  4

• Stereochemistry

  #78 opened 4 years ago by yuhuafang
  1

• The --ks option for script/eval.py should add "type=int"?

  #71 opened 4 years ago by toushi68
  0

• Consider adding Graph Convolutional Policy Network to the models

  #15 opened 4 years ago by hbq1
  1

• Posterior collapse for the VAE

  #45 opened 4 years ago by maxime-langevin
  1

• RuntimeError when executing the run.py

  #53 opened 4 years ago by vandan-revanur
  4

• Request exact steps and the order to run the 5 models

  #65 opened 4 years ago by webservicereco
  1

• Continue to have errors. Request Help. Please see attached 3 txt files.

  #68 opened 4 years ago by webservicereco
  2

• #2: Request for exact steps to run each of the 5 models and required packages with versions

  #66 opened 4 years ago by webservicereco
  6

• where is ddc_pub?

  #69 opened 4 years ago by toushi68
  3

• TypeError: get_all_metrics() got an unexpected keyword argument 'train'

  #61 opened 4 years ago by toushi68
  2

• Update benchmarking results using dataset_iso_v1

  #34 opened 4 years ago by zhebrak
  0

• Insights on VAE's KL annealing scheme

  #42 opened 5 years ago by maxime-langevin
  3

• value of FCD Test and FCD Test SF

  #44 opened 5 years ago by xusworld
  6

• Moses on Knime

  #19 opened 5 years ago by lcollia
  1

• how to use "--addition_rewards" to run organ

  #20 opened 5 years ago by toushi68
  1

• Have a look of Organ sample/model generated smiles file!

  #21 opened 5 years ago by toushi68
  2

• ImportError: /lib64/libstdc++.so.6: version `GLIBCXX_3.4.21' not found in CentOS after using FCD module

  #40 opened 5 years ago by toushi68
  4

• Update benchmarking results using whole dataset

  #36 opened 5 years ago by zhebrak
  1

• Add computation time

  #32 opened 5 years ago by DomInvivo
  1

• no stereoisomer included in the dataset dataset_v1.csv

  #27 opened 5 years ago by zhengmin317
  2

• Rewrite FCDMetric using fcd_torch

  #28 opened 5 years ago by danpol
  0

• Remove globals() from run scripts and relative imports

  #12 opened 5 years ago by zhebrak
  3

• Reduce docker image size

  #11 opened 5 years ago by zhebrak
  1