rdk

p2rank. P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

p2rank-datasets. Datasets for P2Rank project. https://github.com/rdk/p2rank

3D-geometric-deep-learning-in-drugs. 3D-geometric-deep-learning-in-drugs

AHoJ-project. :wave: Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa.

Awesome-Bioinformatics. A curated list of awesome Bioinformatics libraries and software.

GrASP. Python

fpocket. Fork of https://github.com/Discngine/fpocket

pdb-tools. Set of utility scripts to manipulate PDB files

pyKVFinder. pyKVFinder: Python-C parallel KVFinder

FastRandomForest. A fast implementation of the Random Forest algorithm for the Weka environment

PythonDataScienceHandbook. Python Data Science Handbook: full text in Jupyter Notebooks

PointSite_Inference. PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms

pymol-psico. Pymol ScrIpt COllection (PSICO)

bio-diffusion. A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)

biojava. FORK! :book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.

compressor. Because we don't have enough time to read everything

dMaSIF. Jupyter Notebook