Awesome Image-based Phenotypic Drug Discovery Papers and Codes
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Updated
Jun 27, 2024
Awesome Image-based Phenotypic Drug Discovery Papers and Codes
This repository is the collection point of reference data for the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
Interaction Fingerprints for protein-ligand complexes and more
Official code repository of CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
Lightweight Python package to calculate translational vector and rotational matrix between two sets of 3D coordinates
MaSIF-neosurf: surface-based protein design for ternary complexes.
All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
A modular inverse QSAR pipeline
A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.
A Euclidean diffusion model for structure-based drug design.
De Novo Drug Design
List of molecular design using Generative AI and Deep Learning
PD-1 Targeted Antibody Discovery Using AI Protein Diffusion
Mixed continous/categorical flow-matching model for de novo molecule generation.
moldrug is a python package for drug-oriented optimization on the chemical space
Molecular Processing Made Easy.
MicrobeRX
The Open Drug Design Pipeline project leverages advanced AI models to re-think an AI first approach to drug discovery
Pose checks for 3D Structure-based Drug Design methods
A Comprehensive, Free, and Fast-Responsive Ligand-Based Drug Design Platform
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