This project aims to implement Hamiltonian Neural Networks (HNN) within the DeepChem framework using PyTorch. HNNs are designed to model physical...

This project aims to significantly enhance the DeepChem library by integrating PyTorch Lightning to enable efficient multi-GPU training. Currently,...

This project ports the Chemception model—a deep CNN for molecular property prediction—from TensorFlow to PyTorch.DeepChem has been shifting its...

This project proposes integrating ACTINN, a neural network for automated cell type identification in single-cell RNA sequencing (scRNA-seq) data,...

This project aims to implement the Fourier Neural Operator (FNO) in DeepChem, expanding its support for solving complex partial differential...

Antibody-Drug Conjugates (ADCs) represent a promising class of cancer therapeutics designed to selectively target cancer cells while minimizing...