liudongliang's repositories
biostat_final_exam
biostat final exam data and code
BT2100
BT2100 - Computational Biotechnology
cameo
cameo - computer aided metabolic engineering & optimization
ConPLex
Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
crem
CReM: chemically reasonable mutations framework
DeepClustering
Methods and Implements of Deep Clustering
DeepDTAF
a deep learning architecture for protein-ligand binding affinity prediction
DLKcat
Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction
enzyme-datasets
Enzyme datasets used to benchmark enzyme-substrate promiscuity models
escher
Build, share, and embed visualizations of metabolic pathways.
FINDER
FINDER - FInding key players in complex Networks through DEep Reinforcement learning (Nature Machine Intelligence)
FSL-Mate
FSL-Mate: A collection of resources for few-shot learning (FSL).
GLN
Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
kinase-cpi-reanalysis
Reanalysis of Hie et al. using uncertainty paper
Knowledge-Graph-And-Visualization-Demo
There are 2D-Search and 3D-Graph-View for knowledge graph visualization.
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
metabolic-ninja
Predict heterologous pathways for the given organism and chemical of interest
powerful-gnns
How Powerful are Graph Neural Networks?
ProLIF
Protein-Ligand Interaction Fingerprints
reframed
ReFramed: metabolic modeling package
retrosynthesis_planner
Retrosynthesis planner
subwayMap
A jquery plugin to render data as a subway map visualization
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data