Pinned Repositories
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.
AutoMD
Easy to get started with molecular dynamics simulation.
Biodb-Search
A user-friendly biomedical database integration interface.
CADD_Visual_Inspection_Training
Training data for visual inspection after structure-based virtual screening.
DeepSA
GeminiMol
Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.
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".
HPC_Monitor
Automatic monitoring of HPC information and Send warning information by E-mail.
PPI-Miner
A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design
Schrodinger-Script
Some scripts to run Schrödinger jobs on HPC or localhost.
Wang-Lin-boop's Repositories
Wang-Lin-boop/Schrodinger-Script
Some scripts to run Schrödinger jobs on HPC or localhost.
Wang-Lin-boop/AutoMD
Easy to get started with molecular dynamics simulation.
Wang-Lin-boop/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".
Wang-Lin-boop/GeminiMol
Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.
Wang-Lin-boop/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.
Wang-Lin-boop/PPI-Miner
A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design
Wang-Lin-boop/Biodb-Search
A user-friendly biomedical database integration interface.
Wang-Lin-boop/CADD_Visual_Inspection_Training
Training data for visual inspection after structure-based virtual screening.
Wang-Lin-boop/HPC_Monitor
Automatic monitoring of HPC information and Send warning information by E-mail.
Wang-Lin-boop/DeepSA
Wang-Lin-boop/GLAM
Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
Wang-Lin-boop/mol_opt
Wang-Lin-boop/Mutation_ddG_dataset
Wang-Lin-boop/alphafold
Open source code for AlphaFold.
Wang-Lin-boop/RFDesign
Protein hallucination and inpainting with RoseTTAFold
Wang-Lin-boop/Wang-Lin-boop
My GitHub profile.
Wang-Lin-boop/WangLin
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes