drug-discovery

PD-1 Targeted Antibody Discovery Using AI Protein Diffusion

How-to guides and AMD/ROCm optimization recipes for open AI-for-science models.

Drug-repurposing project for antiviral discovery.

MCP Registry listing for the Amass MCP server (https://mcp.amass.tech/mcp)

가톨릭대학교 의과대학 약리학교실, Department of Pharmacology, College of Medicine http://pharmacology.catholic.ac.kr

GRAVITy is an automated pipeline that streamlines molecular dynamics (MD) simulations. It allows users to simulate protein efficiently. It automates tasks like protein preparation, running simulations with GROMACS, and error handling, saving time and ensuring smooth execution.

Generate AI research papers on antimicrobial peptides (AMPs) using SakanaAI/AI-Scientist-v2

Bio

An introductory script on how to combine ligands and DNA quadruplexes for gromacs workflow. More reference is available in the tutorials by Professor Justin A. Lemkul