mims-harvard/TDC

Issues

• [Docking Leaderboard DRD3] Reproducibility Issues

  #235 opened 3 months ago by Jonas-Verhellen
  9

• Add data loader for cisTarget database

  #276 opened 14 days ago by abearab
  0

• bug in loading scPerturb datasets

  #256 opened 2 months ago by abearab
  3

• better expose anndata dataframe in the single-cell dataloaders

  #267 opened a month ago by amva13
  0

• Support augmentation of single-cell datasets via label projection

  #264 opened a month ago by amva13
  0

• Small discrepancies in the documentation of oracles

  #244 opened 2 months ago by miguelgondu
  3

• The bug happens when loading the DUD-E and scPDB dataset

  #212 opened 8 months ago by StefanIsSmart
  2

• Load CRISPR perturbation datasets from scPerturb [Feature Request]

  #239 opened 2 months ago by abearab
  4

• JNK3 uses ECFP4 rather than ECFP6 as claimed on the website

  #253 opened 2 months ago by JanoschMenke
  0

• Oracles not satisfying public benchmarks

  #245 opened 2 months ago by amva13
  0

• Compatibility with Pandas 2.0+

  #199 opened 2 months ago by DannyCollinson
  3

• Add documentation on using the hf models

  #243 opened 2 months ago by amva13
  0

• Rat Liver Microsomal Stability - new dataset

  #206 opened 2 months ago by iwwwish
  2

• SingleCellPrediction should instead be labled Perturb-based prediction task for scperturb datasets

  #237 opened 2 months ago by amva13
  4

• Expand cancer cell line and patient related datasets, e.g. DepMap, CCLE, TCGA

  #216 opened 5 months ago by abearab
  5

• Oracle issue - Yuchen

  #238 opened 2 months ago by amva13
  16

• Oracle Pickles are outdated

  #242 opened 2 months ago by amva13
  0

• The meaning of the score in the document 'toy_data/ppi.txt'

  #231 opened 3 months ago by ke-ning
  2

• DeepPurpose baseline installation error

  #222 opened 3 months ago by mireklzicar
  1

• ADMET leaderboard: some molecules appear both in the `train_val` and `test` sets

  #217 opened 5 months ago by agamemnonc
  1

• [Docking Leaderboard DRD3] Would it be possible to have access to the full training dataset docking scores

  #210 opened 8 months ago by vincrichard
  1

• BBB permeability - New dataset

  #174 opened 2 years ago by devanshamin
  7

• Why the data in TDC is less than the original paper?

  #214 opened 6 months ago by StefanIsSmart
  1

• Conda-forge contains old version

  #213 opened 7 months ago by steffen-fissler
  0

• Suggesting a new data function: Knowledge Graph Mastery

  #211 opened 8 months ago by abearab
  1

• ValueError with Oracles

  #205 opened a year ago by SethPate
  3

• Inconsistency in the BBB leaderboard

  #209 opened 8 months ago by DomInvivo
  2

• About dock：How long does the preparation phase of adding gasteiger charges to peptide take?

  #200 opened a year ago by viko-3
  2

• bad performance of MLP on drug synergy prediction task

  #202 opened a year ago by kkhuang1997
  2

• Not able to pip install in MAC os on M1 chip

  #201 opened a year ago by Ausafhaqqani
  4

• PDB codes for structures in `Epitope` PDB_Jespersen

  #198 opened a year ago by a-r-j
  1

• PubChem Fingerprint Failed

  #197 opened a year ago by peiyaoli
  3

• stop caching data in a relative directory

  #196 opened a year ago by davidegraff
  1

• TDC just exits rather than raising an exception

  #194 opened a year ago by davidegraff
  1

• logging

  #193 opened a year ago by davidegraff
  1

• Teratogenicity, new dataset

  #190 opened a year ago by cmahervir
  2

• New DrugComb data

  #191 opened a year ago by TangYiChing
  4

• Apply consistent code style with `black`

  #187 opened a year ago by cthoyt
  1

• Davis dataset contain "Drug" and “Drug Id” are not related.

  #186 opened a year ago by Hogan-code
  1

• Cannot create an instance of Oracle

  #184 opened 2 years ago by AdamIzdebski
  2

• Oracle import in 0.3.8

  #180 opened 2 years ago by jannisborn
  2

• PAMPA permeability - new dataset

  #172 opened 2 years ago by iwwwish
  2

• MoleculeOne wrapper dysfunctional

  #178 opened 2 years ago by jannisborn
  0

• No module named sklearn.svm.classes

  #163 opened 2 years ago by jannisborn
  9

• Permutation bug in DrugComb group evaluation

  #169 opened 2 years ago by cnedwards
  2

• Potential data leakage of ContextPred and AttrMasking on the ADMET group benchmark

  #166 opened 2 years ago by lihan97
  2

• ADMET Plasma Protein Binding dataset is incorrectly translated from the source (AstraZenica)

  #164 opened 2 years ago by EvanKomp
  4

• Duplicates in ADMET group test set with different classification labels

  #158 opened 2 years ago by eereenah-fast
  2

• add requests to requirements.txt

  #156 opened 2 years ago by SzilviaKiriakov
  4

• MolConverter SMILES to ECFP6 fails

  #157 opened 2 years ago by ayushnoori
  4