Pinned Repositories
2023-1st-AI-assisted-drug-discovery-SNU
Lecture materials for AI-assissted-drug-discovery
3D-geometric-deep-learning-in-drugs
3D-geometric-deep-learning-in-drugs
Adan-pytorch
Implementation of the Adan (ADAptive Nesterov momentum algorithm) Optimizer in Pytorch
adaptiveumbrella
Adaptive umbrella sampling in Python
alignn
Atomistic Line Graph Neural Network
alphafold
Install alphafold on the local machine, get out of docker.
alphafold2
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
alphafold2-multiprocessing
Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing
educational
openmm-pulling
Pulling Simulation and Smoothing
Byun-jinyoung's Repositories
Byun-jinyoung/openmm-pulling
Pulling Simulation and Smoothing
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/tf_metadynamics
Using neural networks for enhanced sampling in computational biophysics
Byun-jinyoung/tica_metadynamics_paper_1
Accelerating MD and MSM by running Metadynamics along tICA coordinates