TDC

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Need to upgrade to have most stable data releases.  **Describe the bug** A clear and concise description of what the bug is. **To Reproduce** Steps to reproduce the behavior:...

amva13

Add loader for huggingface datasets

1

amva13

see https://github.com/mims-harvard/tdc2website-flask/issues/9

amva13

Raw Expression Information Unavailable for GDSC1 & 2

1

Thank you for the great benchmarking platform! I am currently trying to use the GDSC 1 and 2 datasets for drug sensitivity prediction, however I am having trouble locating the...

SyedA5688

This PR replaces every instance of `rdkit.six` functions with the `six` equivalent. This adds a `six` dependency, but makes TDC compatible with more recent versions of RDKit. This fixes #374....

NicklasOsterbacka

**Describe the bug** I noticed that for BindingDB the raw dataset contains 884846 unique SMILES-Protein sequence pairs and after applying `harmonize_affinities`, it contains only 766817 unique pairs. **To Reproduce** Steps...

MatejHl

**Title:** Possible label errors in BBB_Martins test set — 2 molecules appear mislabeled **Description:** While auditing the BBB_Martins dataset from the tdc.single_pred.ADME module, we identified two molecules in the test...

LeonardFH

Hey, There's a DTI challenge website called [cache-challenge](https://cache-challenge.org/critical-assessment-computational-hit-finding-experiments) and at least for challenges 1-4, and was wondering if it would be of interest to integrate them? These are fairly difficult...

vivek-booshan

**Describe the bug** interrupts with installation of package on python3.8 and above. **To Reproduce** run pip install -r requirements.txt on python3.8 and above **Expected behavior** installation is completed successfully **Screenshots**...

iddo-yadlin