Lin WANG (王林)

CADD-Scripts. Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta

GeminiMol. Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.

AutoMD. Easy to get started with molecular dynamics simulation.

GetPDB. Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicates(Optional, maybe lost some conformation changed structures) and save as "UniprotID-PDBID-ModelID-ChainID.pdb/cif".

Ouroboros. An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to bridge the gap between representation learning and generative AI models in drug discovery.

PPI-Miner. A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design

AlphaFoldDB_Processing. This script can clean up the disordered region in the AlphaFold DB structures to adapt it to the molecular docking, extract the sequence of the disordered region to make it available for sequence motif searching.

Biodb-Search. A user-friendly biomedical database integration interface.

CADD_Visual_Inspection_Training. Training data for visual inspection after structure-based virtual screening.

HPC_Monitor. Automatic monitoring of HPC information and Send warning information by E-mail.

Mutation_ddG_dataset.

Wang-Lin-boop. My GitHub profile.

WangLin-archive-2026. Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes