DeepChem

RFDiffusion (Watson et al., Nature 2023) is the state-of-the-art protein backbone diffusion model but DeepChem currently has no protein structure...

According to the Google Summer of Code (GSoC) project ideas listed for One proposed DeepChem project involves adding support for the OLMo Large...

This project aims to develop a native PyTorch-based Machine Learning Interatomic Potential (MLIP) framework within DeepChem, enabling efficient...

This project aims to implement state-of-the-art protein design models, RFDiffusion and RFDiffusion-2, within the DeepChem framework using a clean,...

DeepChem supports transformer-based foundation models for chemistry (ChemBERTa, MolFormer) but has no equivalent for genomic data. This project fills...

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...