This project aims to significantly enhance the DeepChem library by integrating PyTorch Lightning to enable efficient multi-GPU training. Currently,...
Porting Chemception Model to PyTorch
Bibhusundar Mohapatra
This project ports the Chemception model—a deep CNN for molecular property prediction—from TensorFlow to PyTorch.DeepChem has been shifting its...
Integrating Single Cell RNA-seq modeling into Deepchem
Harindhar
This project proposes integrating ACTINN, a neural network for automated cell type identification in single-cell RNA sequencing (scRNA-seq) data,...
Implement a Wishlist Model - Fourier Neural Operator
Shrisharanyan Vasu
This project aims to implement the Fourier Neural Operator (FNO) in DeepChem, expanding its support for solving complex partial differential...
Improving New Drug Modality Support for Antibody Drug Conjugate
Sonali Lipsa Patra
Cancer has become one of the leading causes of morbidity and mortality worldwide. One of the critical drawbacks of current cancer treatment has been...
Hamiltonian Neural Networks
ZapBot
This project aims to implement Hamiltonian Neural Networks (HNN) within the DeepChem framework using PyTorch. HNNs are designed to model physical...
