[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

Awesome Network Pharmacology

A web service and standalone Docker toolkit for the comparative analysis of protein-ligand interaction networks, powered by the PLIP engine. Published in In Silico Pharmacology.

Course completion work defended and approved at the Faculdade de Computação (FACOMP) of the Instituto de Ciências Exatas e Naturais (ICEN) of the Universidade Federal do Pará (UFPa).

Automated end-to-end molecular docking pipeline for protein and ligands - ADMET screening, P2Rank site prediction, AutoDock Vina docking with compatible output

Axiom-Bio evaluates the possibility of the structure existence. an Evidence Evaluation Engine.