Pinned Repositories
deepH-DTA
DeepLearningZeroToAll
TensorFlow Basic Tutorial Labs
DL_in_VS_review
Deep learning in virtual screening, a review
drug-target-profiler
elimu
gpu-jupyter
Leverage the flexibility of Jupyterlab through the power of your NVIDIA GPU to run your code from Tensorflow and Pytorch in collaborative notebooks on the GPU.
HOB
Machine learning model for predicting Human Oral Bioavailability
PyTorchZeroToAll
Simple PyTorch Tutorials Zero to ALL!
QSAR-DrugDiscovery-with-RDkit
ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
TensorFlow_FastCampus_13th
Tensorflow로 시작하는 딥러닝 Camp 13기 강의자료
bbyun28's Repositories
bbyun28/Auto3D_pkg
bbyun28/Computational-ADME
bbyun28/deepQM
bbyun28/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
bbyun28/diffexpr
Porting DESeq2 into python via rpy2
bbyun28/DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
bbyun28/DiffSBDD
A Euclidean diffusion model for structure-based drug design.
bbyun28/EDM-Dock
bbyun28/FEgrow
An Open-Source Molecular Builder and Free Energy Preparation Workflow
bbyun28/foldseek
Foldseek enables fast and sensitive comparisons of large structure sets.
bbyun28/gr-predictor
bbyun28/hignn
Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
bbyun28/machine-learning-notes
Collection of useful machine learning codes and snippets (originally intended for my personal use)
bbyun28/ml_study
bbyun28/PEMT
Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"
bbyun28/Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
bbyun28/polyply_1.0
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
bbyun28/practical-python
Practical Python Programming (course by @dabeaz)
bbyun28/PROTAC-RL
bbyun28/python-mastery
Advanced Python Mastery (course by @dabeaz)
bbyun28/reinforced-genetic-algorithm
bbyun28/sanbomics_scripts
scripts and notebooks from sanbomics
bbyun28/ScaffoldGenerator
A CDK-based library for generating Scaffold Trees and Scaffold Networks
bbyun28/scRNAseq-analysis-notes
scRNAseq analysis notes from Ming Tang
bbyun28/scvi-tools
Deep probabilistic analysis of single-cell omics data
bbyun28/StarGazer
StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a novel target prioritization scoring system in an interactive Python-based Streamlit dashboard. StarGazer displays target prioritization scores for genes associated with 1844 phenotypic traits.
bbyun28/streamlit-ketcher
bbyun28/TankBind
Open source code for TankBind. Galixir Tenchnologies
bbyun28/TIES_MD
Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
bbyun28/Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.