TDC
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mims-harvard
Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science
**Describe the bug** Ordering of input to group evaluation for drug synergy tasks is unclear. This effects the MLP example (https://github.com/mims-harvard/TDC/blob/main/examples/multi_pred/drugcombo/train_MLP.py), since it uses a dataloader with shuffling on. **To...
Addresses #163 This is a draft PR with a rough sketch. Let's discuss here :) - Draft PR for dynamic loading of oracles dependent on `sklearn` version. - Idea: Determine...
…-learn (sklearn) 0.23/0.24/1.0 @kexinhuang12345 @yuanqidu
@futianfan @kexinhuang12345 needs further review (dataloade and oracle only tested on local machine, needs to check after data is hosted on the remote server before merge)
**Describe the bug** TDC is incompatible with recent `scikit-learn` versions (>=0.24.0). This is not pinned in the requirements. Functions like `load_drd2_model` raise: ```sh > clf_model = pickle.load(f) E ModuleNotFoundError: No...
**Describe the problem** DeepChem has many useful drug discovery ML models. It would be great to implement TDC dataloader in DeepChem such that users in DeepChem can directly utilize TDC...
**Describe the problem** It would be great to add the large molecule fluorescent protein task introduced [here](https://arxiv.org/abs/2203.12742) as a molecular generation oracle. Code is available [here](https://github.com/samuelstanton/lambo). **Describe the solution you'd...
**Dataset Description** Drug Target Commons (DTC) is a crowd-sourcing platform to improve the consensus and use of drug-target interactions. The end users can search, view and download bioactivity data using...
**Describe the problem** PROTACs are a class of therapeutics that flag target proteins to a cell's waste disposal system, instead of the traditional binding to targets. It has been very...
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Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science