Pinned Repositories
a-sample-script-of-rosetta-docking
DeepCGSA
DongTiejun
FlexPose
FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
Geometry-Deep-Learning-for-Drug-Discovery
Geometry Deep Learning for Drug Discovery and Life Science
grab-pubmed-info
A personal script for grabbing information from pubmed, scholarscope and sci-hub.
Gradient-Free-Optimizers
Simple and reliable optimization with local, global, population-based and sequential techniques in numerical discrete search spaces.
Mol-Instructions
Mol-Instructions is a Large-Scale Biomolecules Instruction Dataset for Large Language Models.
pyMD_cuda
Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
tiejundong's Repositories
tiejundong/FlexPose
FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
tiejundong/grab-pubmed-info
A personal script for grabbing information from pubmed, scholarscope and sci-hub.
tiejundong/DeepCGSA
tiejundong/a-sample-script-of-rosetta-docking
tiejundong/DongTiejun
tiejundong/Geometry-Deep-Learning-for-Drug-Discovery
Geometry Deep Learning for Drug Discovery and Life Science
tiejundong/Gradient-Free-Optimizers
Simple and reliable optimization with local, global, population-based and sequential techniques in numerical discrete search spaces.
tiejundong/Mol-Instructions
Mol-Instructions is a Large-Scale Biomolecules Instruction Dataset for Large Language Models.
tiejundong/pyMD_cuda
tiejundong/Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.