DAlvGar
Computational Chemistry, Structure Based Drug Design, Scientific Programming and web application development
PharmaceleraBarcelona
Pinned Repositories
biozernike
Protein structure descriptors and alignment based on 3D Zernike moments.
rDock
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
biozernike
Protein structure descriptors and alignment based on 3D Zernike moments.
biskit
A Python platform for Structural Bioinformatics
kinometree
mipgen
pgvector
Open-source vector similarity search for Postgres
pyMDmix
ZernikeMoments
Fork of '3D Zernike Descriptors' library from 3d research Uni-Bonn
PointSite
PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms
DAlvGar's Repositories
DAlvGar/biozernike
Protein structure descriptors and alignment based on 3D Zernike moments.
DAlvGar/biskit
A Python platform for Structural Bioinformatics
DAlvGar/kinometree
DAlvGar/mipgen
DAlvGar/pgvector
Open-source vector similarity search for Postgres
DAlvGar/pyMDmix
DAlvGar/ZernikeMoments
Fork of '3D Zernike Descriptors' library from 3d research Uni-Bonn