Byun-jinyoung

Pinned Repositories

2023-1st-AI-assisted-drug-discovery-SNU
Lecture materials for AI-assissted-drug-discovery
Language:Jupyter Notebook00
Adan-pytorch
Implementation of the Adan (ADAptive Nesterov momentum algorithm) Optimizer in Pytorch
Language:Python0 0 00
adaptiveumbrella
Adaptive umbrella sampling in Python
Language:Python00
alignn
Atomistic Line Graph Neural Network
Language:Python00
alphafold
Install alphafold on the local machine, get out of docker.
Language:Python0 0 00
alphafold2
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
Language:Python0 0 00
alphafold2-multiprocessing
Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing
Language:Python00
alphafold_non_docker
AlphaFold2 non-docker setup
Language:Shell0 0 00
educational
Language:Jupyter Notebook10
openmm-pulling
Pulling Simulation and Smoothing
Language:Python10

Byun-jinyoung's Repositories

Byun-jinyoung/openmm-pulling
Pulling Simulation and Smoothing
Language:Python10
Byun-jinyoung/gibbs
Gibbs sampling for expanded ensembles and replica exchange simulations
Byun-jinyoung/PDB-Sublime3-plugin
Sublime 3 plugin for the PDB files (Atomic Coordinate Entry Format)
Byun-jinyoung/reweight
Reimplementation of aMD reweighting protocol
Byun-jinyoung/tica_metadynamics_paper_1
Accelerating MD and MSM by running Metadynamics along tICA coordinates