Pinned Repositories
cartridge
Ecommerce for Mezzanine
Codes-for-Medium-Articles
Codes for Medium Articles
datasharing
The Leek group guide to data sharing
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DiffDock-1
Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
DiffSBDD
A Euclidean diffusion model for structure-based drug design.
django-guardian
Implementation of per object permissions for Django 1.2+
plipinteractor
This repository is created to organize and analyze the outputs of Protein-Ligand Interaction Profiler (PLIP).
yavst
Yet Another Virtual Screening Tool (for AutoDock 4)
aolgac's Repositories
aolgac/plipinteractor
This repository is created to organize and analyze the outputs of Protein-Ligand Interaction Profiler (PLIP).
aolgac/DiffDock-1
Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
aolgac/yavst
Yet Another Virtual Screening Tool (for AutoDock 4)
aolgac/cartridge
Ecommerce for Mezzanine
aolgac/Codes-for-Medium-Articles
Codes for Medium Articles
aolgac/datasharing
The Leek group guide to data sharing
aolgac/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
aolgac/DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
aolgac/DiffSBDD
A Euclidean diffusion model for structure-based drug design.
aolgac/django-guardian
Implementation of per object permissions for Django 1.2+
aolgac/DrugGEN
Official implementation of DrugGEN
aolgac/EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
aolgac/equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
aolgac/fileoperations
The aim of this repo is to help researchers dealing with file operations by using python in molecular modeling field.
aolgac/ISDB
A database of In-Silico predicted MS/MS spectrum of Natural Products
aolgac/main
Packages for Pisi-2.0 library, desktops, programming, supported with team
aolgac/molgears
molgears
aolgac/pymol
Pymol Toolkit
aolgac/Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
aolgac/mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
aolgac/OnionNet-2
OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
aolgac/Point-Cloud
aolgac/Protein-Ligand-Interaction-Graphs
aolgac/RoseTTAFold-All-Atom
aolgac/STAMP-DPI
Deep Learning for Drug Protein Interaction (DPI) Prediction
aolgac/yatcm