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1. HUBioDataLab/DrugGEN HUBioDataLab/DrugGEN Public

   Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

   Python 92 21

2. HUBioDataLab/SELFormer HUBioDataLab/SELFormer Public

   SELFormer: Molecular Representation Learning via SELFIES Language Models

   Python 105 19

3. Prot2Mol Prot2Mol Public

   Target based molecule generation using protein embeddings and SELFIES molecule representation

   Python 1

4. HUBioDataLab/DEEPScreen2 HUBioDataLab/DEEPScreen2 Public

   Automated Tool for Drug-Target Interaction Prediction Using Deep Convolutional Neural Networks

   Python 2 5

5. deltawave-tech/delta deltawave-tech/delta Public

   An Auditable Agent Platform For Automated Molecular Optimisation

   Python 4 1

6. saezlab/pypath saezlab/pypath Public

   Python module for prior knowledge integration. Builds databases of signaling pathways, enzyme-substrate interactions, complexes, annotations and intercellular communication roles.

   Python 157 49