deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Chemcrow
PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)
LLM for Drug Editing, ICLR 2024
Your AI Research Lab That Never Sleeps. 9 agents, 263 skills, 77 databases — from literature to publication, every discipline, zero boundaries.
Trained models & code to predict toxic comments on all 3 Jigsaw Toxic Comment Challenges. Built using ⚡ Pytorch Lightning and 🤗 Transformers. For access to our API, please email us at contact@unitary.ai.
3 captures since 2026-05-22