Democratize AI for drug discovery.

Technologies
python, numpy, pytorch, HuggingFace
Topics
artificial intelligence, chemistry, biology, materials science, Drug Discovery
Democratize AI for drug discovery.
We democratize access to AI tools for drug discovery and other scientific applications of deep learning more broadly. We also maintain a collection of scientific datasets for benchmarking and building new deep learning architectures along with an extensive open source collection of scientific machine learning tutorials. DeepChem has a strong educational component and partners with a broad range of academic and governmental institutions.
2024 Program

Successful Projects

Contributor
Shivasankaran Vanaja Pandi
Mentor
NimishaDey
Organization
DeepChem
Protein Language Modeling
The project aims to integrate a protein language model (PLM) into the DeepChem library through HuggingFace APIs and PyTorch. The project would...
Contributor
David_Zhang
Mentor
David Figueroa
Organization
DeepChem
Developing Modality Support for PROTACs
PROTACs represent a very promising emerging drug modalities. Traditional modalities, small-molecule drugs, for example, or monoclonal antibodies, are...
Contributor
Dhuvi Karthikeyan
Mentor
Aaron Rock Menezes
Organization
DeepChem
Target Conditioned Antibody Sequence Generation Using Protein Language Models
Monoclonal antibodies (mAbs) are a potent therapeutic because of their ability to precisely target molecular surfaces at a sub-protein level...
Contributor
Gautham Krishnan
Mentor
ArunPa
Organization
DeepChem
Torch compile and PyTorch 2.2.0
This project aims to integrate the torch.compile function released in PyTorch 2.0 into DeepChem's PyTorch models, unlocking significant performance...
Contributor
Harishwar Adithya S
Mentor
Ankita Vaishnobi Bisoi
Organization
DeepChem
Porting the Smiles2Vec Model from Tensorflow to Pytorch
In this project, we aim to port DeepChem Models from Tensorflow to Pytorch. I want to select Chemnet Models model to work with. I want to put the...
Contributor
Debasish Mohanty
Mentor
Shreyas V
Organization
DeepChem
Incorporating Polymer Representation in DeepChem for Drug Delivery and Material Science Support
Current methods in the DeepChem library struggle to understand complex polymers, limiting their application in drug delivery and materials science....
Contributor
Elisa Gómez de Lope
Mentor
Rakshit Kumar Singh
Organization
DeepChem
DeepChem meets Hugging Face pLM ESM-2: Predicting protein binding sites. A tutorial.
Protein-ligand interactions play a crucial role in various biological processes, and accurately predicting protein binding sites, where ligand...
Contributor
Anamika_Yadav
Mentor
Bharath Ramsundar
Organization
DeepChem
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...