Drug Target Selection and Validation

The project aims to integrate ConPLex for target selection and ESM for target validation into DeepChem, addressing the need for target selection and validation pipeline in DeepChem. By enhancing DeepChem with these capabilities, the project aims to streamline the drug discovery process, offering high accuracy in drug-target interaction predictions and insightful structural and functional analyses of potential targets. This integration is poised to significantly benefit the scientific machine learning and drug discovery communities by offering a more efficient, scalable, and interpretable method for identifying and validating drug targets, thereby accelerating the path from research to clinical application.