Repository Index

A PyTorch Library for Accelerating 3D Deep Learning Research

• pytorch
• 3d-deep-learning
• neural-networks
• differentiable-rendering

Official repository for the Boltz biomolecular interaction models

• binding-prediction
• drug-discovery
• protein-structure

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

• deep-learning
• pytorch
• deep-chemistry
• graph-neural-network

Interactive network visualization in Python and Dash, powered by Cytoscape.js

• plotly-dash
• plotly
• dash
• cytoscape

Source code for "DeepDTA: deep drug-target binding affinity prediction"

• protein-ligand-interactions
• convolutional-neural-networks

TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524

• self-attention
• compound-protein-interaction
• transformercpi
• structure-free-virtual-sreening

NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions

• computational-biology
• bioinformatics
• graph-convolution
• deep-learning

💬 Trace citation chains for any concept across research papers and render them as an interactive graph.

• academic-research
• bibliography
• citation-graph
• cli