MolecularAI/Chemformer

Issues

• uspto_mixed dataset

  #37 opened 2 months ago by feiyang-cai
  0

• Cannot import name 'DeepSpeedPlugin' from 'pytorch_lightning.plugins'

  #34 opened 5 months ago by nzsimonc
  2

• Regression Task with Biological Activity Data Using Pretrained Chemformer

  #33 opened 7 months ago by wdon021
  2

• Conda env dependencies not found

  #32 opened 7 months ago by t-neumann
  2

• SMILE to memory tensor

  #29 opened 7 months ago by gambalab
  5

• Inference errors with uploaded model checkpoints

  #27 opened 7 months ago by braydenrudisill
  1

• Issues finding the correct dataset

  #30 opened 7 months ago by princeklat03
  2

• Interpreting Chemformer Predictions

  #11 opened 2 years ago by salman-moh
  13

• os.sched_getaffinity error

  #31 opened 8 months ago by Rojina99
  2

• SMILES to vector?

  #6 opened 2 years ago by leoin841023
  3

• Issue replicating results

  #28 opened 9 months ago by braydenrudisill
  1

• Necessary GPUs for Molecular Property Prediction

  #23 opened a year ago by diegoff29
  2

• Using pretrained ChemFormer to get encoder and decoder outputs

  #20 opened a year ago by Vikramank
  3

• Molecule Property prediction task

  #13 opened a year ago by salman-moh
  23

• Data preprocess

  #9 opened a year ago by FanmengWang
  4

• DeadLock with multiple gpus

  #25 opened a year ago by bbjy
  0

• KeyError: 'LOCAL_RANK'

  #24 opened a year ago by shoang22
  0

• models.py file is not in the repository?

  #22 opened a year ago by Ontos46
  1

• How to do random generation and Interpolation?

  #21 opened a year ago by tinymd
  2

• Reproducing Claimed Results for Single-Step Retrosynthesis

  #19 opened 2 years ago by Arihanth007
  10

• Question on sampling desirable molecules

  #18 opened 2 years ago by Doha7430
  3

• Small setup.py change

  #16 opened 2 years ago by vthost
  2

• AqSolDB - dataset for solubility, ignored intentionally?

  #15 opened 2 years ago by salman-moh
  1

• Trying out inference

  #10 opened 2 years ago by salman-moh
  5

• Questions on smiles str canonicalization when inference

  #8 opened 2 years ago by puchapu
  1

• Question on representation

  #7 opened 2 years ago by chao1224
  1

• published article

  #4 opened 2 years ago by abilsland
  2

• install

  #5 opened 2 years ago by vthost
  1

• Question USPTO50k

  #3 opened 3 years ago by vthost
  1